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The IUPHAR/BPS Guide to PHARMACOLOGY complete ligand list

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Non-peptidic, biogenic compounds derived from living organisms and their close synthetic derivatives.
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Ligand name ID Synonyms
A Back to top
abscisic acid Immunopharmacology Ligand 10362 (+/-)-(cis,trans)-abscisic acid, (+/-)-Abscisic acid, (RS)-Abscisic acid, ABA
absinthin 12458 (+)-absinthin, absynthin
acacetin 13776 4'-Methoxyapigenin, Apigenin 4'-methyl ether, buddleoflavonol, linarigenin
aconitine 2617
agatoxin 489 2484 AG 489
ajmalicine Approved drug PDB Ligand 8746 delta-yohimbine, raubasine, rauvasan, rauwolfia alkaloid
alchivemycin A 13437
alcuronium 341
allicin 2419
aloin 12498 aloin A/B
Altromycin B 10964
amarogentin 12459
amphomycin 13516 glumamycin
anacardic acid 6999
apicidin Antimalarial Ligand 7495 OSI-2040
apigenin PDB Ligand 4136
aplithianine A PDB Ligand 13089 compound 1 [PMID: 37843072]
apramycin PDB Ligand 10760 EBL-1003, EL-857, EL857, nebramycin factor 2, nebramycin II
arctigenin PDB Ligand 13586 (-)-Arctigenin
arecoline 296 methylarecaiden, methylarecaidin, taeniolin
argiotoxin PDB Ligand 4138 argiotoxin 636
Aristoteline 13176
artemisinin Antimalarial Ligand 9954 qinghaosu
artenimol Approved drug Antimalarial Ligand 9957 DHA, dihydroartemisinin, GNF-Pf-5634
artepillin C 6302
α-asarone 13278 (α)-asarone, trans-asarone
(R)-asimilobine 13235 (-)-asimilobine, R-(-)-asimilobine
atropine Approved drug 320 Atropen®, hyoscyamine
 
B Back to top
bacitracin A Approved drug 12812
bacopaside I 13095
bacopaside II 13096
bacoside A3 13094
baicalein PDB Ligand 5144 5,6,7-trihydroxyflavone
baicalin PDB Ligand Immunopharmacology Ligand 13076 7-D-glucuronic acid-5,6-dihydroxy-flavone, Baicalein 7-glucuronide, compound 15 [PMID: 37666112]
balanol PDB Ligand 8142 azepinostatin
batrachotoxin 2619
bekanamycin Approved drug PDB Ligand 12182 kanamycin B, nebramycin V
bengalensol 12469
benzoate 4565 benzoic acid
benzosceptrin C 13127 compound 6 [PMID: 20166736]
berberine PDB Ligand 11353 umbellatine
bergapten 12431 5-Methoxypsoralen, 5-MOP, bergaptene, Heraclin, O-Methylbergaptol
beta-gentiobiose 12452 6-O-beta-D-glucopyranosyl-D-glucopyranose
beta-Sitosterol PDB Ligand 13860 β-Sitosterol, azuprostat, clionasterol
betulinic acid PDB Ligand 3945
bicuculline PDB Ligand 2312 bicuculline methiodide
bilobalide 2366
BIO101 PDB Ligand 11987 20-Hydroxyecdysone, beta-Ecdysone, Crustecdysone, Ecdysterone, Sarconeos
biochanin A PDB Ligand 2829 4'-methylgenistein
Bis1 9572 Tz‐BBA
bisandrographolide 2502
bongkrek acid PDB Ligand 4689 BKA, bongkrekic acid, flavotoxin A
borneol Approved drug 6413 (+)-borneol, camphol, dexborneol, isoborneol
boromycin Antimalarial Ligand 13447
borrelidin Antimalarial Ligand 11306 (-)-borrelidin
brucine 342 10,11-dimethoxy strychnine
bryostatin 1 13773 NSC-339555
bufotenine 144 5-OH-DMT, dimethylserotonin, DM5-HT, N,N-dimethyl-5-HT, N,N-dimethylserotonin
 
C Back to top
caffeic acid PDB Ligand 5155
caffeine Approved drug PDB Ligand 407 Peyona®
calphostin C 5156
calyculin A 13083 (-)-calyculin A, hemicalyculin A
camphor 2422 2-bornanone, 2-camphanone, bornan-2-one
cannabichromene 11093 (+/-)-Cannabichromene, cannabichrome, CBC
cannabidiol Approved drug PDB Ligand 4150 CBD, Epidiolex®, GWP42003-P, nabiximols (CBD + THC, fixed-dose oral spray), Sativex® (CBD + THC, fixed-dose oral spray)
cannabidivarin 11092 CBDV, GWP42006
cannabigerol 11094 CBG
cannabigeroquinone 13406 CBGQ, phytocannabinoid 14 [PMID: 38408345], VCE-003
cantharidin Approved drug 13081 Ycanth® (0.7% solution, single-use topical applicator)
caprazamycin B 13474
capreomycin IB Approved drug 13256 Capastat®
capsaicin Approved drug PDB Ligand 2486 Qutenza®
capuramycin PDB Ligand 13471 A-500359 B, antibiotic 446-S3-1
carboxyatractyloside PDB Ligand 4572 CATR
carvacrol PDB Ligand 2497
carveol 6417 L-carveol
catechin PDB Ligand 13091 (+)-catechin, catechol, cianidanol, D-Catechin
cationomycin 11002 BRN-6263205, BRN6263205, LS-52659, LS52659
CE9A215 14080 inotodiol
celastrol PDB Ligand Immunopharmacology Ligand 10386 compound 2 [PMID: 28621943]
cephalosporin P1 12330 acremonic acid
cervimycin C 13603
chaetocin 8388
chalcomycin 11058
chelerythrine PDB Ligand 5953 broussonpapyrine, cheleritrine, chelerythrine hydroxide, toddalin
chlorocardicin 11044
chlorogenic acid PDB Ligand 12477 3-O-caffeoylquinic acid, caffeoyl quinic acid, chlorogenate
chlorotonil A Antimalarial Ligand 13589
chlortetracycline Approved drug PDB Ligand 13537 Aureomycin®
chrysin PDB Ligand 8789 NSC-407436
cimifugin 12555 Cimitin
cinchonine 13363 (+)-Cinchonine, D-Cinchonine
cinnamtannin B1 PDB Ligand 13186 Cinnamtannin B-1, CTB-1
citibrasine 8561 compound 7 [PMID: 21277783]
citral PDB Ligand 6327 citral a, geranial, geranialdehyde, trans-citral
Citrusinine II 11377 Citrusinine-II, compound 5 [PMID: 21277783]
CJ-15,801 Antimalarial Ligand 10610 CJ-15801
cladosporin PDB Ligand Antimalarial Ligand 10247 asperentin
clavulanic acid Approved drug PDB Ligand 11128 BRL-14151, BRL-14151K, BRL14151, clavulanate, MM 14151
7α-Cl-ginkgolide B 1840 7α-Cl-GB
clorobiocin PDB Ligand 12127 chlorobiocin, RP 18,631
clovibactin 13080 Novo29
cocaine Approved drug PDB Ligand 2286
(S)-coclaurine PDB Ligand 13999
codeine Approved drug 1673 Codicept®, methylmorphine
cohumulone 12422 (+/-)-cohumulone
colistin Approved drug 10794 Colobreathe®, polymyxin E, Promixin®
compound 11 [PMID: 30694059] 13327 compound 1 [PMID: 23180340]
compound 4 [PMID: 39046805] 13528
compound 5 [PMID: 10869194] 8843
compound (±)-2 [PMID: 41108282] 14270
conessine 8981
convolidine 13881
Corallopyronin A 11029 CorA, LS-54950, LS54950
cordycepin PDB Ligand 4630 3'-deoxyadenosine
correolide 2555
cortistatin A PDB Ligand 9885 (+)-cortistatin A, 17-epi-cortistatin A
corynanthine 5345 rauhimbine
coumestrol PDB Ligand 12437
crofelemer Approved drug 7453 Fulyzaq®, SP-303
cucurbitacin B 12432 (+)-Cucurbitacin B, Amarine, Datisca principle B
curcumin PDB Ligand 7000
cyclopamine PDB Ligand 10328 11-Deoxyjervine
cyclopiazonic acid 5350 α-cyclopiazonic acid, NSC 117181
cyclothialidine 10988 Ro 09-1437
cytisine PDB Ligand 5347 baptitoxine, cytisin, cytisinicline, sophorine
cytochalasin B PDB Ligand 5334 phomin
 
D Back to top
dactimicin 11001 Formimidoyl-fortimicin A, SF-2052, SF2052
daidzein PDB Ligand 2828 7,4'-dihydroxyisoflavone
D-(-)-Amygdalin 12451 amygdaloside, D-amygdalin, glucoprunasin, isoamygdalin
darobactin A 14286
datiscetin PDB Ligand 12440
daunorubicin Approved drug PDB Ligand 7063 Cerubidine®, daunomycin, FI-6339, NDC-0082-4155, RP-13057
declovanillobiocin 12128 novclobiocin 313
defibrotide Approved drug 9087 Defitelio®
dehydrosoyasaponin I 14018 Dehydrosoyasaponin I, Dehydrosoyasaponin-1, DHS-I, Soyasaponin Be
dendrophenol 13780 compound 24 [PMID: 34931827], moscatilin
14-Deoxy-11,12-didehydroandrographolide Immunopharmacology Ligand 13464 ddA (14-deoxy-11,12-didehydroandrographolide)
1-deoxynojirimycin PDB Ligand 4642 AT-2220, duvoglustat, S-GI
deserpidine Approved drug 7064 Harmonyl®, recanescin
diazoquinomycin H 13821
1,9-dideoxyforskolin 4100
difficidin 11062
digoxin Approved drug PDB Ligand 4726 Lanoxin®
dihydroergocristine 278
dimethyltryptamine PDB Ligand 141 DMT, N,N-dimethyltryptamine
diosmetin PDB Ligand 13861 luteolin 4-methyl ether
domoic acid PDB Ligand 4181 domoate, NSC 288031
doxorubicin Approved drug PDB Ligand 7069 Adriamycin®, Caelyx® (liposomal doxorubicin), Doxil®, doxorubicin hydrochloride
D-phenyllactic acid PDB Ligand 12418 (-)-3-Phenyllactic acid, (S)-phenyllactic acid, D-PLA
dysiherbaine PDB Ligand 4185
 
E Back to top
(E)-beta-caryophyllene 13282 (-)-(E)-Caryophyllene, (-)-trans-Caryophyllene, (E)-β-caryophyllene (BCP)
ellagic acid PDB Ligand 13035 benzoaric acid, eleagic acid
Embelin PDB Ligand 11209
emetine PDB Ligand 11087
enexasogaol Immunopharmacology Ligand 9773 6-Shogaol, [6]-shogaol, trans-6-shogaol
enviomycin Approved drug 13276 Tuberactin®, tuberactinomycin N
epibatidine 5348 (+)-epibatidine, CMI 488
(-)-Epicatechin PDB Ligand 12497 (2R,3R)-(-)-Epicatechin, epi-Catechin, epi-Catechol, L-Epicatechin
epicatechin gallate 12462 (-)-Epicatechin gallate, (-)-Epicatechin-3-O-gallate, epicatechin monogallate, L-Epicatechin gallate
epigallocatechin PDB Ligand 12461 (-)-EGC, (-)-Epigallocatechin
epigallocatechin-3-gallate PDB Ligand 7002 EGCG, EGCG, epigallocatechin gallate
7-epi-ginkgolide C 1848 7-epi-GC
epothilone B PDB Ligand 13600 EPO-906, EPO906, patupilone
(±)-Equol 12441 (+/-)-Equol, (R,S)-Equol
eremomycin 10959 A82846A
α-ergocryptine 271
erianin PDB Ligand 13781
(+/-)-Eriodictyol 12442
eriodictyol chalcone 12443 2',3,4,4',6'-Pentahydroxychalcone, Eriodictyolchalcone
erucamide PDB Ligand 13954
erythromycin Approved drug PDB Ligand 1456 EM-A, E-Mycin®, Erythrocin®, erythromycin-A
escin 14008 aescin
esculetin PDB Ligand 5180 6,7-dihydroxycoumarin, aesculetin, cichorigenin
eucalyptol 2464
eugenol PDB Ligand 2425
eupatorin 13862
evybactin 12922 GLXC-26146
 
F Back to top
farnesol 3215 FCI 119a
fascaplysin 5969
feldamycin 10979 BMY-28565, BMY28565, U-48266
Ferrimycin A1 10966
7α-F-ginkgolide B 1841 7α-F-GB
ficellomycin 10965 U-47,929, U-47929, U47929
fisetin PDB Ligand 5182
flagellin 4931
flavone PDB Ligand 409
formate 4540 formic acid, HCOO-
forskolin PDB Ligand 5190 coleonol
forsythiaside PDB Ligand 13770 Forsythiaside A
forsythoside B Immunopharmacology Ligand 10303
fosmidomycin PDB Ligand Antimalarial Ligand 9739 FR-31564
FR-49175 3150 AC1L4YI4, bis(methylthio)gliotoxin, dimethylgliotoxin, FR 49175
 
G Back to top
galangin PDB Ligand 410 3,5,7-trihydroxyflavone, 3,5,7-triOH-flavone, norizalpinin, NSC-407229
gallic acid PDB Ligand 5549 pyrogallol-5-carboxylic acid
gamma-valerolactone 13648 γ-valerolactone, 4-Valerolactone
ganoderic acid D 13594 compound 12 [PMID: 24974349]
ganoderic acid F 13595 compound 19 [PMID: 24974349], ganoderate F
garcinoic acid 10734 tocotrienoloic acid, trans-delta-tocotrienoloic acid
garcinol 7001
geldanamycin PDB Ligand 9829
genistein PDB Ligand 2826 5,7,4'-trihydroxyisoflavone
geraniol PDB Ligand 2467
gingerol 2428 6-Gingerol, [6]-Gingerol
ginkgolide A 1861
ginkgolide B 1862 GKB, BN 52021
ginkgolide C 1863 BN 52022
ginkgolide J 1864
ginsenoside Rg3 7658 (20S)-ginsenoside Rg3
gluconate 4519
glycyrrhizin 4688
goitrin 12495 (±)-goitrin, DL-Goitrin
gomisin N 13774 ( )-Schisandrin B, Deoxygomisin A, gamma-schizandrin, Wuweizisu B
gossypol PDB Ligand 4204
grandinin 12436
grassystatin A 8674
grassystatin G 13882
grayanotoxin III 2628
grifolic acid 5588 ilicicolinic acid B
grifolic acid methyl ether 5589
grosheimin 12468 grossheimin
guggulsterone 2745 E-guggulsterone, guggulsterones E, pregna-4,17-diene-3,16-dione
guvacine 4691
 
H Back to top
harmaline 13140
harmine PDB Ligand Immunopharmacology Ligand 9352
hedamycin 10958 antibiotic B 26,158, B26158, NSC-70929
helvolic acid 12329 fumigacin
hematoxylin 13599 (+)-haematoxylin, haematoxylin, hydroxybrasilin, hydroxybrazilin
herbimycin A 5984
hesperetin PDB Ligand 10953 3',5,7-Trihydroxy-4'-methoxyflavanone, NP-13, NSC-57654
himbacine 324
homoeriodictyol 12444 (+/-)-5,7,4'-Trihydroxy-3'-methoxyflavanone, (+/-)-Homoeriodictyol
honokiol PDB Ligand 11610
HS-142-1 4952 HS142-1
α-humulene PDB Ligand 13236 alpha-caryophyllene, alpha-Humulene, humulene
4-hydroxybenzaldehyde PDB Ligand 13597
3-hydroxycezomycin 13814 AC7230
3β-hydroxydihydrocostunolide 12472
6-Hydroxy-5,7-dimethoxyflavone Immunopharmacology Ligand 9878 UFM-24, UFM24
ω-Hydroxyemodin 11005 Citreorosein, omega-Hydroxyemodin
5-Hydroxymethyl-2-furfural PDB Ligand 10939 5HMF
hygromycin A 13623 homomycin, totomycin
hymeglusin 5886 antibiotic 1233A, F-244, L-659,699
hyperforin 2764
hypericin 11248
hypoglaucin A 842 (-)-hypoglaucine A
 
I Back to top
ibogaine PDB Ligand 13148 (-)-Ibogaine, (5β)-12-methoxyibogamine, 12-Methoxyibogamine
ibotenic acid 1371 ibotenate
icariin 13728
icariside II 10686 baohuoside I
idarubicin Approved drug PDB Ligand 7083 Idamycin®, IMI-30, Zavedos®
indanomycin 10949 X-14547A
infractopicrin 13864 compound 1 [PMID: 20176490]
ingenol mebutate Approved drug PDB Ligand 7443 PEP-005, Picato®
ionomycin 13591 SQ-23377
irigenol 11564 compound 4 [PMID: 28621943], UI1956
(-)-isatispironeol A 13775 compound 1b [PMID: 36758886]
Isochlorogenic acid A 12548 3,5-DCQA, 3,5-Dicaffeoylquinic acid
Isochlorogenic acid B 12549 3,4-Dicaffeoylquinic acid, 3,4-DICQA
isocorypalmine PDB Ligand 13571 (S)-Isocorypalmine, l-Isocorypalmine, tetrahydrocolumbamine
isoquinoline alkaloid 15 [PMID: 33485157] 13568 N,O-dimethylcoclaurine N-oxide
isosakuranetin 10299 4'-Methylnaringenin, naringenin 4'-methyl ether
isovanillobiocin 12129 novclobiocin 312
 
J Back to top
jobosic acid 13405 compound 1 [PMID: 38781491]
joro spider toxin 4229
josamycin Approved drug 12924 kitasamycin A3, leucomycin A3, turimycin A5
juglone PDB Ligand 13647
 
K Back to top
K-252a 336 K252a, ST50826373, staurosporine aglycone
kaempferitrin 13277 kaempferol 3,7-dirhamnoside, lespedin, lespenefril
kaempferol PDB Ligand 11052 Robigenin
kainate 4231
kallstroemin D 843
kanamycin Approved drug PDB Ligand 12132 kanamycin A
Katanosin B 10970 Lysobactin
kibdelomycin A 11016
kuwanon H 622 kuwanone H
 
L Back to top
lactivicin 11022 compound 1 [PMID: 17676039], LTV
lactucopicrin 12499 lactopicrin, lactupicrin
lavendustin A 13719 RG-14355, RG14355
L-azetidine-2-carboxylate PDB Ligand 4686
leinamycin 11041 DC-107, DC107
leptomycin B PDB Ligand 14274 Antibiotic CL 1957A, CI-940, Elactocin
licoisoflavone A PDB Ligand 14060
linalool 2469
lincomycin Approved drug PDB Ligand 10941 Bactramycin®, L-Mycin®, LCM, Lincocin®, Lincorex®, U 10,149A, U-10149
liposidomycin B 13520
(S)-liquiritigenin PDB Ligand Immunopharmacology Ligand 8899
lobeline PDB Ligand 13498 α-lobeline, (-)-lobeline
loureirin A 13446
lovastatin Approved drug PDB Ligand Immunopharmacology Ligand 2739 (+)-mevinolin, 6α-methylcompactin, Mevacor®
LPS 5019 lipopolysaccharide derived from Gram-negative bacteria
luminamicin 11053 coloradocin, LS-90907
lupulone 12445 beta-Bitter acid, beta-Lupulic acid, Lupolon
lutein PDB Ligand 13099 E 161b, xanthophyll
luteolin PDB Ligand Antimalarial Ligand 5215
lysergic acid 139 (+)-lysergic acid, D-lysergic acid, isolysergic acid
lysinomicin 10969
 
M Back to top
magnolol PDB Ligand 14021
malvidin-3-glucoside 12427 Enin, Malvidin 3-O-beta-D-glucoside, Malvidin 3-O-glucoside, Oenin
mangiferin PDB Ligand 13843
mangostanin PDB Ligand 13468 9-Hydroxycalabaxanthone
α-mangostin PDB Ligand 13469 alpha-mangostin
manoalide 13677 MC-13
(-)-menthol Approved drug PDB Ligand 2430 l-menthol, levomenthol
mersacidin 11014 M87 1551, M87-1551
mescaline PDB Ligand 13139 3,4,5-Trimethoxyphenethylamine, mescalin, mezcalin, Tmpea
meso-DAP PDB Ligand 5021 meso-diaminopimeilic acid
methoxsalen Approved drug PDB Ligand 12457 8-Methoxypsoralen, 8-MOP, xanthotoxin, zanthotoxin
6-methoxysakuranetin 9111 compound 33 [PMID: 21650152]
6-Methylflavone 12466 6-methyl-2-phenylchromen-4-one
methyllycaconitine PDB Ligand 4005
micheliolide 13701
microcystin-LR 4735 toxin-LR
micronomicin Approved drug 12162 gentamicin C2b, Sagamicin®, XK-62-2
midecamycin Approved drug 13158 espinomycin A, platenomycin B1, rubimycin, SF-837, turimycin P3
mithramycin Approved drug PDB Ligand 8394 aureolic acid, Mithracin®, mithramycin A, MMA
mitomycin C Approved drug 7089 Mitosol®, NSC-26980
mitragynine 13149 (-)-Mitragynine
moiramide B PDB Ligand 13922
monensin 14126 monensic acid
moracin M 13466
morin PDB Ligand 411 aurantica, calico yellow, toxylon pomiferum
morphine Approved drug PDB Ligand 1627 morphine sulfate, Ms Contin®, Oramorph®
muraminomicin F 13519
muramyl dipeptide PDB Ligand 5024 MDP
muraymycin D2 PDB Ligand 13501 muramycin D2
mureidomycin C 13517
muscarine 3996
muscimol PDB Ligand 4259 agarin, pantherine
mycophenolic acid Approved drug PDB Ligand 6832 ERL-080, Myfortic® (mycophenolate sodium)
mycoplanecin A 13757
myricetin PDB Ligand 13074 3,3',4',5,5',7-hexahydroxyflavone, cannabiscetin
 
N Back to top
napsamycin C 11008
napsamycin D 11009
narceine 13150 narcein
naringenin 10298 BE-14348A, naringetol
naringin PDB Ligand 4738
neferine 13234 (-)-Neferine
neomycin Approved drug PDB Ligand 709 Neo-Rx®, neomycin sulfate
neopyrrolomycin 10962
neorauflavane 13514
7α-N3-ginkgolide B 1842 7α-N3-GB
7α-NHEt-ginkgolide B 1844 7α-NHEt-GB
7α-NH2-ginkgolide B 1843 7α-NH2-GB
7α-NHMe-ginkgolide B 1845 7α-NHMe-GB
nicotine Approved drug PDB Ligand 2585 Nicorette®, Nicotrol®
N-methyllaurotetanine 13242 2-O-methylboldine, Boldine 2-methyl ether, Lauroscholtzine, Rogersine
nobiletin 12446 Hexamethoxyflavone
nocardicin A 12295
nodusmicin 11019 nodusmicin 1
nojirimycin 10951 5-amino-5-deoxy-D-glucopyranose, D-gluco-piperidinose
nordihydroguiaretic acid Approved drug 4265 NDGA, Actinex®
noscapine PDB Ligand 10212
novclobiocin 101 12131
novobiocin Approved drug PDB Ligand 12021 Albamycin®, cardelmycin, cathomycin, PA 93, streptonivicin
 
O Back to top
7α-OAc-ginkgolide B 1846 7α-OAc-GB
10-OBn-epi-ginkgolide C 1838 10-OBn-epi-GC
10-OBn-7α-F-gingkolide B 1835 10-OBn-7α-F-GB, compound 17 [PMID: 12570381]
10-OBn-ginkgolide B 1836 10-OBn-GB
10-OBn-ginkgolide C 1837 10-OBn-GC
ochratoxin A PDB Ligand 4672
7α-OCOCH2Ph-ginkgolide B 1847 7α-OCOCH2Ph-GB
okadaic acid PDB Ligand 5349
oleandomycin Approved drug 13280 amimycin, landomycin, Matromycin®, P.A.105, Romicil®
oleandrin 12618 foliandrin, neriolin, PBI-05204 (mixture of botanical compounds), PBI05204
oleanolic acid 3306 oleanic acid
oleocanthal 6308 (-)-oleocanthal
oleuropein 11027
oligoporin D 13863 compound 3 [PMID: 39945763]
olivanic acid 12811
omacetaxine mepesuccinate Approved drug PDB Ligand 7454 CGX-635, HHT, homoharringtonine, Myelostat®, Synribo®
oridonin 13088 lasidonin, rubescensin A
oroxylin A Immunopharmacology Ligand 13522
osthole PDB Ligand Immunopharmacology Ligand 10302 7-Methoxy-8-isopentenylcoumarin, osthol
ouabain Approved drug PDB Ligand 4826
oxoglaucine 12559 O-Methylatheroline
 
P Back to top
pacidamycin 13473
paclitaxel Approved drug PDB Ligand 2770 7-epipaclitaxel, Abraxane® (albumin-bound suspension), Taxol®
papaverine Approved drug PDB Ligand 13147 Pavacap®, Pavadyl®
parawixin 1 5352 PbTx1
paromomycin Approved drug PDB Ligand 12160 aminosidine, catenulin, Humatin®, monomycin A
parthenolide PDB Ligand 12428 (-)-Parthenolide
Penitrem A 14027
peptidoglycan 5044 PGN, murein
pestalotinone B 13923
phalloidin 4736
phenoxymethylpenicillin Approved drug PDB Ligand 10920 Oracillin®, PC Pen VK®, Pen-V®, penicillin V, Penicillin VK, PNV
Phenyl-β-D-glucopyranoside 12455 Aryl beta-D-glucoside, Phenyl beta-D-glucopyranoside, Phenyl beta-D-glucoside
phenylthiocarbamide PDB Ligand 12496 1-Phenylthiourea, N-Phenylthiourea, phenylthiourea
phleomycin 10954 NSC 61586, NSC-61586
phloretin PDB Ligand 4285
phlorizin PDB Ligand 4757
physostigmine Approved drug 6598 Antilirium®, eserine, physostigmine salicylate
phytocannabinoid 6 [PMID: 38408345] 13407 6′-Hydroxy-Δ7′,8′-dihydrocannabigerol
picrotoxin 4051
picrotoxinin PDB Ligand 2291
pikromycin PDB Ligand 13472 albomycetin, amaromycin, picromycin
β-pinene 13237 beta-Pinene, terbenthene, terebenthene
piperlongumine PDB Ligand 13376 piplartine
pleuromulin 12935 drosophilin B, pleuromutilin
plitidepsin Approved drug PDB Ligand 11396 Aplidin®, aplidine, Dehydrodidemnin B
plumbagin PDB Ligand 7003 RTK1
plusbacin A3 11020
podofilox Approved drug PDB Ligand 13598 Condylox®, podophyllotoxin
polypeptin 13820 circulin (former name)
polyphyllin H 13592
poststatin 10967 L-Val-L-Val-3-amino-2-oxo-valeryl-D-Leu-L-Val
6-prenylnaringenin 12585 (2S)-6-Prenylnaringenin
pristimerin 13530 celastrol methyl ester
pristinamycin IA Approved drug 12934 mikamycin B, ostreogrycin B, Pyostacine®, streptogramin B, virginiamycin B
pristinamycin IIA Approved drug PDB Ligand 12933 mikamycin A, ostreogrycin A, Pyostacine®, streptogramin A, virginiamycin M1
Procyanidin C2 12426 Procyanidin trimer C2
pseudochelerythrine PDB Ligand 11563 compound 1 [PMID: 28621943], sanguinarin, Sanguinarine
psilocin PDB Ligand 11291
pterostilbene PDB Ligand 2681
puerarin PDB Ligand 12553 Daidzein-8-C-glucoside, Kakonein
punicalagin 13430
puromycin PDB Ligand 13311 achromycin
pyridomycin PDB Ligand 13449 erizomycin
pyrogallol PDB Ligand 13596 Pyrogallic acid
 
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quercetin PDB Ligand 5346
quinidine Approved drug PDB Ligand Antimalarial Ligand 2342 Quinaglute®, Quinidex®, quinidine hydrochloride
quinine Approved drug PDB Ligand Antimalarial Ligand 2510 GNF-Pf-506, Qualaquin®, Quinate®, quinine bisulphate, quinine sulfate
 
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rancinamycin IA 11015 Rancomycin 1, U-22583, U22583
rauwolscine 136 α-yohimbine, corynanthidine, isoyohimbine, mesoyohimbine
rescinnamine Approved drug 7098
resiniferatoxin PDB Ligand 2491 RTX
resveratrol PDB Ligand Immunopharmacology Ligand 8741 3,4',5-stilbenetriol, 3,5,4'-trihydroxystilbene, trans-resveratrol
(S)-reticuline PDB Ligand 13998 S-(+)-Reticuline
ribostamycin PDB Ligand 12161 SF-733
rifampicin Approved drug PDB Ligand 2765 Rifadin®, rifampin
rifamycin Approved drug 4570 Aemcolo®, rifamycin SV
rosaramicin 10855 Antibiotic 67-694, Antibiotic 67694, juvenimicin A3, rosamicin, SCH-14947, SCH14947
rosmarinic acid (racemate) 13092 rosmarinate
rottlerin 2611 mallotoxin
ryanodine 4303
 
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safranal 13283
sakuranetin PDB Ligand 412 4',5-dihydroxy-7-methoxyflavanone
salicin PDB Ligand 12454 D-(-)-Salicin, salicyl alcohol glucoside
salicylic acid Approved drug PDB Ligand Immunopharmacology Ligand 4306 Bazuka Extra Strength Gel®, salicylate
salidroside 13729 rhodioloside, rhodosin
salvianolic acid A Immunopharmacology Ligand 13093 Dan Phenolic Acid A, Danshen, Sal A
salvianolic acid B 13515 danfensuan B, SalB
salvinorin A 1666 divinorin A
Sanglifehrin A PDB Ligand 13322
sansanmycin A 13521
santonin 12448 (-)-Santonin, alpha-Santonin, L-alpha-Santonin, Semenen
sarsagenin 13593 parigenin, sarsasapogenin, smilagenin
saxitoxin PDB Ligand 2625
schisandrin A 2769 (-)-deoxyschisandrin, (-)-dimethylgomisin J, deoxyschizandrin, schizandrin-A
sclareol PDB Ligand 13431
scopolamine Approved drug PDB Ligand 330 hyoscine, levo-duboisine, Scopoderm®
scutellarein 12463 5,6,7,4'-Tetrahydroxyflavone, 6-Hydroxyapigenin
scutellarin 13075 breviscapin, scutellarein-7-glucuronide
sesamin 11372 D-(+)-Sesamin, Fagarol
silibinin 12449 Silibinin A, Silybin, Silymarine I
sinefungin PDB Ligand 13317
sinigrin PDB Ligand 12456 Myronate, Myronic acid
sisomicin Approved drug PDB Ligand 10858 Antibiotic 66-40, Antibiotic 6640, rickamicin, Sch-13475, Sch13475, sisomycin, Sissomicin
SMTP-7 12300 Stachybotrys microspora triprenyl phenol 7, BIIB131, SMTP7, TMS-007
solanidine 12500
spectinomycin Approved drug PDB Ligand 11127 actinospectacin, M-141, Trobicin®, U-18409, U-18409E, U18409
spenolimycin 10961 acmimycin
spinosin 13281
spiramycin Approved drug PDB Ligand 13312 foromacidin, Rovamycine®
staurosporine PDB Ligand 346 (+)-staurosporine, antibiotic 230, antibiotic AM-2282
(-)-stepholidine 8370 (S)-(-)-Stepholidine, l-SPD, L-stepholidine, S-stepholidine
stevioside 12423 rebaudin, steviosin
streptonigrin 8683 bruneomycin, nigrin, NSC-45383, rufocromomycin, valacidin
strychnine PDB Ligand 347 sanaseed, strychnin
sucrose PDB Ligand 5411 saccharose
sulfolipid 2 [PMID: 27827845] 13404
sulforaphane 6569
 
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tagitinin A 8701
talaroterphenyl A 13465 compound 1 [PMID: 38943602]
tannic acid 4319
tanshinone IIA 13771 salviol IIA, Tanshinone B
teixobactin 10972 compound of formula II [WO2014089053A1], N-[N-Methyl-D-Phe-Ile-Ser-D-Gln-D-aIle-Ile-Ser-]cyclo[D-Thr*-Ala-[3-(2-iminoimidazolidine-4beta-yl)-Ala-]-Ile-]
Teleocidin B4 13408 Olivoretin D, Tel B, Teleocidin B-4
Δ9-tetrahydrocannabinol Approved drug PDB Ligand 2424 THC, Δ9-THC, Abbott 40566, delta9-THC, Marinol®, tetrahydrocannabinol
Δ9-Tetrahydrocannabinolic acid 11091 Δ9-tetrahydrocannabinolic acid, 9-Carboxy-THC, Delta(9)-tetrahydrocannabinolic acid, THCA
tetrahydrocannabivarin PDB Ligand 6418 THC-V, Δ9-tetrahydrocannabivarin, Δ9-THCV, delta9-THCV, THCV
tetrahydroharmine 13141
tetrandrine Approved drug 11859 (+)-Tetrandrine, (S,S)-Tetrandrine, D-Tetrandrine, fanchinin, Tetrandrin
tetrodotoxin 2616 TTX
tetronothiodin 910
thapsigargin PDB Ligand 5351
theaflavin 12464 (-)-Theaflavin, Theaflavine
theaflavin-3′-O-gallate 12465 Theaflavin monogallate
thebaine PDB Ligand 13146 codeine methyl enol ether, paramorphine
theophylline Approved drug PDB Ligand Immunopharmacology Ligand 413 Nuelin®, Slo-Bid®, Theolair®
(-)-α-thujone 5344 α-thujone
thymol PDB Ligand 2499
tirandalydigin 11012
tirotundin 8700
tobramycin Approved drug PDB Ligand 10930 Bethkis®, Kitabis®, Tobi Podhaler®, Tobradex® (tobramycin + dexamethasone), Vantobra®
toddacoumalone Immunopharmacology Ligand 13467 compound 8 [PMID: 24597921]
tonantzitlolone 10287
trabectedin Approved drug PDB Ligand 2774 ecteinascidin 743, ET-743, Yondelis®
trans-2-methylcrotonic acid 6499 tiglic acid
trilobatin Immunopharmacology Ligand 13073 phloretin-4'-O-glucoside, prunin dihydrochalcone
trodusquemine 9733 MSI-1436, MSI1436
tryptanthrin 8224 couroupitine a, GNF-PF-2691
tubocurarine Approved drug 2294 (+)-tubocurarine, d-tubocurarine
tunicamycin PDB Ligand 13510 tunicamycin A, tunicamycin B2, tunicamycin V
tylosin PDB Ligand 13707 tylosin A
 
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vancomycin Approved drug 10932 Vancocin®, Vancor®
vanillin PDB Ligand 6412 vanilla
vanillobiocin 12130 novclobiocin 311
veratridine 2626 3-veratroylveracevine, veratrine
verbascoside 12550 acteoside, kusaginin, Reh-acteoside
verdamicin 11010 6'-C-Methylsisomicin
vermisporin 11011
verruculogen PDB Ligand 14033 TR1 toxin
vialinin A 8669 ganbajunin C
vincamine 349 vincamidol
vincristine Approved drug 6785 22-oxovincaleukoblastine, kyocristine, leurocristine sulfate, NSC-67574, Oncovin®
viomycin Approved drug 13252 celiomycin, florimycin, tuberactinomycin B
virginiamycin S1 13755 staphylomycin S, virgimycin
visnagin 433 desmethoxykhellin
 
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waixenicin A 6359
wedelolactone 5551
withaferin A 13097
withanone 13098 6,7-epoxy-5,17-dihydroxy-1-oxowitha-2,24-dienolide, compound 11 [PMID: 30776236]
wollamide B 13452
wortmannin PDB Ligand 6060 antibiotic SL-2052, KY 12420
 
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xanthatin 13700 (-)-Xanthatin, 8-epi-xanthatin
xenorceptide A2 14124
xestospongin C 4344
 
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(+)-Yanhusanine B 13569 (+)-(9S)-Yanhusanine B
YM-254890 9335 YM254890
yohimbine Approved drug 102 Actibine®, corynine, quebrachin, yohimbin
 
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zaragozic acid A PDB Ligand 3057 L 694599, L-694599, squalestatin, squalestatin 1, squalestatin S1
zaragozic acid B 6061
zaragozic acid C 3073
zeaxanthin PDB Ligand 13100 all-trans-Zeaxanthin, Beta,beta-carotene-3,3'-diol, Zeaxanthol