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phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha

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Immunopharmacology Ligand target has curated data in GtoImmuPdb

Target id: 2153

Nomenclature: phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha

Abbreviated Name: PI3Kα

Family: Phosphatidylinositol-4,5-bisphosphate 3-kinase family, Phosphatidylinositol kinases

Contents:

Gene and Protein Information Click here for help
Species TM AA Chromosomal Location Gene Symbol Gene Name Reference
Human - 1068 3q26.32 PIK3CA phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha
Mouse - 1068 3 15.7 cM Pik3ca phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha
Rat - 1068 2 q25 Pik3ca phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha
Previous and Unofficial Names Click here for help
caPI3K | PI3K | PI3Kalpha | PtdIns-3-kinase subunit alpha | p110α/PIK3CA | phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha | phosphatidylinositol-4
Database Links Click here for help
Alphafold P42336 (Hs), P42337 (Mm)
BRENDA 2.7.1.153, 2.7.11.1
CATH/Gene3D 2.60.40.150, 1.10.1070.11
ChEMBL Target CHEMBL4005 (Hs), CHEMBL2499 (Mm)
Ensembl Gene ENSG00000121879 (Hs), ENSMUSG00000027665 (Mm), ENSRNOG00000056371 (Rn)
Entrez Gene 5290 (Hs), 18706 (Mm), 170911 (Rn)
Human Protein Atlas ENSG00000121879 (Hs)
KEGG Enzyme 2.7.1.153, 2.7.11.1
KEGG Gene hsa:5290 (Hs), mmu:18706 (Mm), rno:170911 (Rn)
OMIM 171834 (Hs)
Orphanet ORPHA117820 (Hs)
Pharos P42336 (Hs)
RefSeq Nucleotide NM_006218 (Hs), NM_008839 (Mm), NM_133399 (Rn)
RefSeq Protein NP_006209 (Hs), NP_032865 (Mm), NP_596890 (Rn)
SynPHARM 80835 (in complex with PF-04691502)
80594 (in complex with wortmannin)
UniProtKB P42336 (Hs), P42337 (Mm)
Wikipedia PIK3CA (Hs)
Selected 3D Structures Click here for help
Image of receptor 3D structure from RCSB PDB
Description:  Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Kalpha
PDB Id:  3ZIM
Resolution:  2.85Å
Species:  Human
References:  56
Image of receptor 3D structure from RCSB PDB
Description:  Solution structure of the C2 domain from human PI3-kinase p110 subunit alpha
PDB Id:  2ENQ
Resolution:  0.0Å
Species:  Human
References: 
Enzyme Reaction Click here for help
EC Number: 2.7.1.153
EC Number: 2.7.11.1

Download all structure-activity data for this target as a CSV file go icon to follow link

Inhibitors
Key to terms and symbols View all chemical structures Click column headers to sort
Ligand Sp. Action Value Parameter Reference
neolymphostin A Small molecule or natural product Click here for species-specific activity table Hs Inhibition 9.1 pKd 14
⤷ pKd 9.1 (Kd 8.8x10-10 M) [14]
Description: Determined using an active-site dependent competition binding assay.
bimiralisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.8 pKd
⤷ pKd 8.8 (Kd 1.5x10-9 M)
wortmannin Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.3 pKd 14
⤷ pKd 8.3 (Kd 5.4x10-9 M) [14]
eganelisib Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 7.8 pKd 25
⤷ pKd 7.8 (Kd 1.7x10-8 M) [25]
STX-478 Small molecule or natural product Ligand has a PDB structure Hs Inhibition 7.2 – 8.3 pKd 9
⤷ pKd 8.3 (Kd 4.7x10-9 M) [9]
Description: Affinity for PI3Kα with the H1047R mutation
pKd 7.2 (Kd 7x10-8 M) [9]
Description: Affinity for wild type PI3Kα
quinostatin Small molecule or natural product Click here for species-specific activity table Hs Inhibition 6.2 pKd 81
⤷ pKd 6.2 (Kd 6x10-7 M) [81]
Description: In vitro binding affinity to recombinant complex of PI3K alpha regulatory and catalytic subunits.
PQR620 Small molecule or natural product Click here for species-specific activity table Hs Inhibition 6.0 pKd 65
⤷ pKd 6.0 (Kd 1x10-6 M) [65]
compound 12b [PMID: 31465220] Small molecule or natural product Click here for species-specific activity table Hs Inhibition 5.8 pKd 6
⤷ pKd 5.8 (Kd 1.6x10-6 M) [6]
PF-06843195 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition >10.7 pKi 17
⤷ pKi >10.7 (Ki <1.8x10-11 M) [17]
inavolisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 10.5 pKi 7
⤷ pKi 10.5 (Ki 3.4x10-11 M) [7]
taselisib Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 9.5 – 10.1 pKi 7,57
⤷ pKi 10.1 (Ki 9x10-11 M) [7]
pKi 9.5 (Ki 2.9x10-10 M) [57]
PF-04691502 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 9.2 pKi 50
⤷ pKi 9.2 (Ki 5.7x10-10 M) [50]
compound 82 [PMID: 21332118] Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.9 pKi 22
⤷ pKi 8.9 (Ki 1.2x10-9 M) [22]
pictilisib Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.6 pKi 7
⤷ pKi 8.6 (Ki 2.56x10-9 M) [7]
omipalisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 7.7 pKi 45
⤷ pKi 7.7 (Ki 1.9x10-8 M) [45]
wortmannin Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 6.9 pKi 33
⤷ pKi 6.9 (Ki 1.2x10-7 M) [33]
compound 22 [PMID: 24754609] Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 6.9 pKi 19
⤷ pKi 6.9 (Ki 1.32x10-7 M) [19]
PQR620 Small molecule or natural product Click here for species-specific activity table Hs Inhibition 5.4 pKi 65
⤷ pKi 5.4 (Ki 4.203x10-6 M) [65]
compound 15a [PMID: 32069401] Small molecule or natural product Click here for species-specific activity table Hs Inhibition 9.7 pIC50 82
⤷ pIC50 9.7 (IC50 2x10-10 M) [82]
vulolisib Small molecule or natural product Click here for species-specific activity table Hs Inhibition 9.7 pIC50 83
⤷ pIC50 9.7 (IC50 2x10-10 M) [83]
gedatolisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 9.4 pIC50 73
⤷ pIC50 9.4 (IC50 4x10-10 M) [73]
copanlisib Small molecule or natural product Approved drug Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 9.3 pIC50 51
⤷ pIC50 9.3 (IC50 5x10-10 M) [51]
HS-173 Small molecule or natural product Hs Inhibition 9.1 pIC50 43
⤷ pIC50 9.1 (IC50 8x10-10 M) [43]
compound 5d [PMID: 31335136] Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 9.1 pIC50 49
⤷ pIC50 9.1 (IC50 8.7x10-10 M) [49]
gilmelisib Small molecule or natural product Hs Inhibition >9.0 pIC50 77
⤷ pIC50 >9.0 (IC50 <1x10-9 M) [77]
PIK-75 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.2 – 9.5 pIC50 36,46
⤷ pIC50 9.5 (IC50 3x10-10 M) [36]
pIC50 8.2 (IC50 5.8x10-9 M) [46]
PI-103 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.7 pIC50 66
⤷ pIC50 8.7 (IC50 2x10-9 M) [66]
GSK1059615 Small molecule or natural product Primary target of this compound Hs Inhibition 8.7 pIC50 45
⤷ pIC50 8.7 (IC50 2x10-9 M) [45]
paxalisib Small molecule or natural product Click here for species-specific activity table Hs Inhibition 8.7 pIC50 37
⤷ pIC50 8.7 (IC50 2x10-9 M) [37]
panulisib Small molecule or natural product Click here for species-specific activity table Hs Inhibition 8.7 pIC50 41
⤷ pIC50 8.7 (IC50 2.2x10-9 M) [41]
Description: Using a radiometric protein kinase (33PanQinase activity) assay.
pictilisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.5 pIC50 27
⤷ pIC50 8.5 (IC50 3x10-9 M) [27]
dactolisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Hs Inhibition 8.4 pIC50 53
⤷ pIC50 8.4 (IC50 4x10-9 M) [53]
BGT-226 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Hs Inhibition 8.4 pIC50 54
⤷ pIC50 8.4 (IC50 4x10-9 M) [54]
KU-0060648 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Hs Inhibition 8.4 pIC50 13
⤷ pIC50 8.4 (IC50 4x10-9 M) [13]
compound 27 [PMID: 35834807] Small molecule or natural product Click here for species-specific activity table Hs Inhibition 8.4 pIC50 39
⤷ pIC50 8.4 (IC50 4.4x10-9 M) [39]
apitolisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.3 pIC50 69
⤷ pIC50 8.3 (IC50 4.8x10-9 M) [69]
alpelisib Small molecule or natural product Approved drug Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 8.3 pIC50 29
⤷ pIC50 8.3 (IC50 5x10-9 M) [29]
risovalisib Small molecule or natural product Hs Inhibition 8.2 pIC50 79
⤷ pIC50 8.2 (IC50 5.9x10-9 M) [79]
AZD8835 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Hs Inhibition 8.2 pIC50 4
⤷ pIC50 8.2 (IC50 6.2x10-9 M) [4]
samotolisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Hs Inhibition 8.2 pIC50 3
⤷ pIC50 8.2 (IC50 6.1x10-9 M) [3]
NVP-CLR457 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 7.9 pIC50 26
⤷ pIC50 7.9 (IC50 1.2x10-8 M) [26]
izorlisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 7.8 pIC50 59
⤷ pIC50 7.8 (IC50 1.4x10-8 M) [59]
DS-7423 Small molecule or natural product Click here for species-specific activity table Hs Inhibition 7.8 pIC50 42
⤷ pIC50 7.8 (IC50 1.56x10-8 M) [42]
ZSTK474 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 7.8 pIC50 78
⤷ pIC50 7.8 (IC50 1.6x10-8 M) [78]
VS-5584 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Hs Inhibition 7.8 pIC50 35
⤷ pIC50 7.8 (IC50 1.6x10-8 M) [35]
fimepinostat Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 7.7 pIC50 64
⤷ pIC50 7.7 (IC50 1.9x10-8 M) [64]
buparlisib Small molecule or natural product Primary target of this compound Ligand has a PDB structure Hs Inhibition 7.5 pIC50 10
⤷ pIC50 7.5 (IC50 3x10-8 M) [10]
AZD8186 Small molecule or natural product Click here for species-specific activity table Hs Inhibition 7.5 pIC50 34
⤷ pIC50 7.5 (IC50 3.5x10-8 M) [34]
pilaralisib Small molecule or natural product Click here for species-specific activity table Hs Inhibition 7.4 pIC50 78
⤷ pIC50 7.4 (IC50 3.9x10-8 M) [78]
PP121 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 7.3 pIC50 2
⤷ pIC50 7.3 (IC50 5.2x10-8 M) [2]
AZD8154 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 7.3 pIC50 62
⤷ pIC50 7.3 (IC50 5.5x10-8 M) [62]
PI 3-Kg inhibitor Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 7.2 pIC50 11
⤷ pIC50 7.2 (IC50 6x10-8 M) [11]
compound 11j [PMID: 23021994] Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 7.0 pIC50 32
⤷ pIC50 7.0 (IC50 9.2x10-8 M) [32]
serabelisib Small molecule or natural product Primary target of this compound Click here for species-specific activity table Hs Inhibition >7.0 pIC50 67
⤷ pIC50 >7.0 (IC50 <1x10-7 M) [67]
AZD7648 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 7.0 pIC50 31
⤷ pIC50 7.0 (IC50 1x10-7 M) [31]
RV1729 Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 6.7 pIC50 44
⤷ pIC50 6.7 (IC50 1.93x10-7 M) [44]
Description: In a biochemical enzyme activity assay.
LY 294002 Small molecule or natural product Primary target of this compound Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 6.7 pIC50 13,18
⤷ pIC50 6.7 (IC50 3x10-7 – 2x10-7 M) [13,18]
sapanisertib Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Guide to Malaria Pharmacology Ligand Hs Inhibition 6.7 pIC50 40
⤷ pIC50 6.7 (IC50 2.19x10-7 M) [40]
leniolisib Small molecule or natural product Approved drug Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 6.6 pIC50 20
⤷ pIC50 6.6 (IC50 2.62x10-7 M) [20]
Description: In vitro enzyme assay
compound 2q [PMID: 30986068] Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 6.6 pIC50 55
⤷ pIC50 6.6 (IC50 2.7x10-7 M) [55]
Description: In a biochemical HTRF assay measuring generation of PIP3 via phosphorylation of PIP2, using PI3Kα 14-602 fragment.
dezapelisib Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition <6.3 pIC50 48
⤷ pIC50 <6.3 (IC50 >5x10-7 M) [48]
zandelisib Small molecule or natural product Click here for species-specific activity table Hs Inhibition <6.3 pIC50 8
⤷ pIC50 <6.3 (IC50 >5x10-7 M) [8]
idelalisib Small molecule or natural product Approved drug Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 6.1 pIC50 47
⤷ pIC50 6.1 (IC50 8.2x10-7 M) [47]
AZD6482 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 6.1 pIC50 58
⤷ pIC50 6.1 (IC50 8.7x10-7 M) [58]
AS-252424 Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 6.0 pIC50 63
⤷ pIC50 6.0 (IC50 9.35x10-7 M) [63]
eCF309 Small molecule or natural product Click here for species-specific activity table Hs Inhibition 6.0 pIC50 28
⤷ pIC50 6.0 (IC50 9.81x10-7 M) [28]
Description: In a biochemical assay.
puquitinib Small molecule or natural product Click here for species-specific activity table Hs Inhibition 6.0 pIC50 80
⤷ pIC50 6.0 (IC50 9.928x10-7 M) [80]
compound 52 [PMID: 28541707] Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 5.9 pIC50 52
⤷ pIC50 5.9 (IC50 1.19x10-6 M) [52]
Description: Calculated based on 700-fold lower than affinity for PI3Kδ.
TG-100-115 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 5.9 pIC50 60
⤷ pIC50 5.9 (IC50 1.3x10-6 M) [60]
SAR260301 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 5.8 pIC50 15
⤷ pIC50 5.8 (IC50 1.539x10-6 M) [15]
duvelisib Small molecule or natural product Approved drug Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 5.8 pIC50 75
⤷ pIC50 5.8 (IC50 1.602x10-6 M) [75]
compound 41 [PMID: 31855425] Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 5.8 pIC50 38
⤷ pIC50 5.8 (IC50 1.585x10-6 M) [38]
compound 7 [PMID: 31955578] Small molecule or natural product Click here for species-specific activity table Hs Inhibition 5.7 pIC50 5
⤷ pIC50 5.7 (IC50 2.2x10-6 M) [5]
seletalisib Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 5.4 pIC50 1
⤷ pIC50 5.4 (IC50 3.638x10-6 M) [1]
AZ2 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 5.4 pIC50 30
⤷ pIC50 5.4 (IC50 3.981x10-6 M) [30]
PI 3-Kg inhibitor II Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition 5.3 pIC50 11
⤷ pIC50 5.3 (IC50 4.5x10-6 M) [11]
nemiralisib Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 5.3 pIC50 24
⤷ pIC50 5.3 (IC50 5.011x10-6 M) [24]
Description: In a homogeneous time-resolved fluorescence (HTRF) assay
acalisib Small molecule or natural product Click here for species-specific activity table Hs Inhibition 5.3 pIC50 68
⤷ pIC50 5.3 (IC50 5.441x10-6 M) [68]
Description: In an in vitro biochemical assay using recombinant enzyme.
AZD3458 Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition 5.1 pIC50 61
⤷ pIC50 5.1 (IC50 7.943x10-6 M) [61]
Description: In a biochemical enzyme activity assay.
tenalisib Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition <5.0 pIC50 71
⤷ pIC50 <5.0 (IC50 >1x10-5 M) [71]
Description: In a high throughput biochemical assay.
RV6153 Small molecule or natural product Click here for species-specific activity table Immunopharmacology Ligand Hs Inhibition <4.9 pIC50 70
⤷ pIC50 <4.9 (IC50 >1.39x10-5 M) [70]
Description: In a biochemical enzyme activity assay.
quinostatin Small molecule or natural product Click here for species-specific activity table Hs Inhibition 4.8 pIC50 81
⤷ pIC50 4.8 (IC50 1.5x10-5 M) [81]
Description: Inhibition of lipid-kinase activity in vitro.
AMG319 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibition 4.5 pIC50 21
⤷ pIC50 4.5 (IC50 3.3x10-5 M) [21]
Allosteric Modulators
Key to terms and symbols View all chemical structures Click column headers to sort
Ligand Sp. Action Value Parameter Reference
RLY-2608 Small molecule or natural product Ligand has a PDB structure Hs Inhibition 7.3 – 8.4 pIC50 72
⤷ pIC50 8.4 (IC50 4x10-9 M) [72]
Description: Biochemical inhibition of PI3KCA1047R
pIC50 7.3 (IC50 4.8x10-8 M) [72]
Description: Biochemical inhibition of WT PI3KCA
PIK-108 Small molecule or natural product Click here for species-specific activity table Ligand has a PDB structure Hs Inhibition <5.0 pIC50 16
⤷ pIC50 <5.0 (IC50 >1x10-5 M) [16]
DiscoveRx KINOMEscan® screen Click here for help
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 23,76
Key to terms and symbols Click column headers to sort
Target used in screen: PIK3CA
Ligand Sp. Type Action Value Parameter
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 9.0 pKd
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.8 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 7.2 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.8 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
masitinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(C420R)
Ligand Sp. Type Action Value Parameter
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.9 pKd
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.8 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 7.0 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.7 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
masitinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(E542K)
Ligand Sp. Type Action Value Parameter
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.9 pKd
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.8 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 7.1 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.7 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
masitinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(E545A)
Ligand Sp. Type Action Value Parameter
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 9.1 pKd
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.8 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 7.1 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.6 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
masitinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(E545K)
Ligand Sp. Type Action Value Parameter
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.9 pKd
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.8 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 7.1 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.7 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
masitinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(H1047L)
Ligand Sp. Type Action Value Parameter
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.5 pKd
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.4 pKd
lestaurtinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition 7.3 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.5 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.4 pKd
staurosporine Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.4 pKd
midostaurin Small molecule or natural product Approved drug Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition 6.0 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(H1047Y)
Ligand Sp. Type Action Value Parameter
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.5 pKd
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.4 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.8 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.4 pKd
lestaurtinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition 6.2 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(I800L)
Ligand Sp. Type Action Value Parameter
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.5 pKd
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.1 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.8 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.7 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
masitinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(M1043I)
Ligand Sp. Type Action Value Parameter
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.5 pKd
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.4 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.5 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.4 pKd
lestaurtinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition 6.0 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
Target used in screen: PIK3CA(Q546K)
Ligand Sp. Type Action Value Parameter
PI-103 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.8 pKd
pictilisib Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 8.8 pKd
TG-100-115 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 7.1 pKd
PP-242 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition 6.8 pKd
ruboxistaurin Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
SB203580 Small molecule or natural product Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
erlotinib Small molecule or natural product Approved drug Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
linifanib Small molecule or natural product Hs Inhibitor Inhibition <5.5 pKd
GSK690693 Small molecule or natural product Ligand has a PDB structure Hs Inhibitor Inhibition <5.5 pKd
masitinib Small molecule or natural product Ligand has a PDB structure Immunopharmacology Ligand Hs Inhibitor Inhibition <5.5 pKd
Displaying the top 10 most potent ligands  View all ligands in screen »
Immunopharmacology Comments
PI3Kα is primarily recognised for its oncogenic function. We have included it in GtoImmuPdb based on its numerous GO immune process associations.
Immuno Process Associations
Immuno Process:  Inflammation
Immuno Process:  Cytokine production & signalling
Immuno Process:  T cell (activation)
Immuno Process:  Immune regulation
Immuno Process:  Chemotaxis & migration
Immuno Process:  Cellular signalling
Clinically-Relevant Mutations and Pathophysiology Click here for help
Disease:  Breast cancer
Disease Ontology: DOID:1612
OMIM: 114480
Disease:  Colorectal cancer
Disease Ontology: DOID:9256
OMIM: 114500
Disease:  Congenital lipomatous overgrowth, vascular malformations, and epidermal nevi
Description: CLOVE syndrome is caused by gain-of-function mutation of the PI3KA gene.
Synonyms: CLOVE syndrome [Orphanet: ORPHA140944]
OMIM: 612918
Orphanet: ORPHA140944
Drugs:  CLOVE syndrome patients treated with the PI3Kα-selective kinase inhibitor alpelisib achieve significant reduction in symptoms across a varied range of tissues that are affected by this disease.
Side effects:  Alpelisib treatment was not associated with any substantial side effects in the nineteen CLOVE syndrome patients that were given the drug.
Therapeutic use:  Alpelisib is not yet an approved drug (May 2019) so is being tested in this select patient cohort on compassionate grounds.
Comments:  Use of alpelisib to treat CLOVE syndrome and other PI3KA-related overgrowth spectrum (PROS) conditions is claimed in patent WO/2017/140828
References:  12,74
Disease:  Cowden syndrome 5; CWS5
Synonyms: Cowden disease [Disease Ontology: DOID:6457]
Cowden syndrome [Orphanet: ORPHA201]
Disease Ontology: DOID:6457
OMIM: 615108
Orphanet: ORPHA201
Disease:  Hemimegalencephaly
Orphanet: ORPHA99802
Disease:  Hepatocellular carcinoma
Disease Ontology: DOID:684
OMIM: 114550
Disease:  Hereditary nonpolyposis colon cancer
Orphanet: ORPHA144
Disease:  Keratosis, seborrheic
Synonyms: Seborrheic keratosis [Disease Ontology: DOID:6498]
Disease Ontology: DOID:6498
OMIM: 182000
Disease:  Macrodactyly of fingers, unilateral
Orphanet: ORPHA295239
Disease:  Megalencephaly-capillary malformation-polymicrogyria syndrome
OMIM: 602501
Orphanet: ORPHA60040
Disease:  Ovarian cancer
Disease Ontology: DOID:2394
OMIM: 167000
Disease:  Segmental progressive overgrowth syndrome with fibroadipose hyperplasia
Orphanet: ORPHA314662

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