compound 2e [PMID: 19013076]

Ligand id: 8830

Name: compound 2e [PMID: 19013076]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 101.7
Molecular weight 199.13
XLogP -2.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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Similar Ligands
D-lysine
Targets
Mitochondrial ornithine transporter 2
L-lysine
Targets
Cationic amino acid transporter 3; GPRC6 receptor; High affinity cationic amino acid transporter 1; Low affinity cationic amino acid transporter 2; Mitochondrial ornithine transporter 1 ; Mitochondrial ornithine transporter 2; sodium-coupled neutral amino acid transporter 4
D-ornithine
Targets
Mitochondrial ornithine transporter 2
L-ornithine
Targets
Cationic amino acid transporter 3; GPRC6 receptor; High affinity cationic amino acid transporter 1; Low affinity cationic amino acid transporter 2; Mitochondrial ornithine transporter 1 ; Mitochondrial ornithine transporter 2; Ornithine decarboxylase
L-citrulline
Targets
GPRC6 receptor; Mitochondrial ornithine transporter 1 ; Mitochondrial ornithine transporter 2
D-citrulline
Targets
Mitochondrial ornithine transporter 2
D-glutamic acid
Targets
Vesicular glutamate transporter 1; Vesicular glutamate transporter 2; Vesicular glutamate transporter 3
L-glutamic acid
Targets
GluA3; GluA4; GluD1; GluD2; GluK1; GluK2; GluN2A; GluN2C; GluN2D; GluN3A; mGlu2 receptor; mGlu5 receptor; mGlu6 receptor; mGlu7 receptor; mGlu8 receptor... click on ligand to see complete list
NIL
Targets
Inducible NOS
[14C]glutamine
Targets
Sodium-coupled neutral amino acid transporter 3
L-glutamine
Targets
Alanine/serine/cysteine transporter 2; B0AT3; GPRC6 receptor; NTT4; Sodium-coupled neutral amino acid transporter 3; Sodium-coupled neutral amino acid transporter 5; sodium-coupled neutral amino acid transporter 1; sodium-coupled neutral amino acid transporter 2; sodium-coupled neutral amino acid transporter 4
[3H]glutamine
Targets
Sodium-coupled neutral amino acid transporter 3
6-aminocaproic acid
Targets
plasminogen
L-homocysteine
Targets
Cystathionine β-synthase
[3H]GABA
GABA
Targets
GABAA receptor α1 subunit; GABAA receptor α3 subunit; GABAA receptor α4 subunit; GABAA receptor α5 subunit; GABAA receptor α6 subunit; GABAA receptor β1 subunit; GABAA receptor β3 subunit; GABAA receptor δ subunit; GABAA receptor ε subunit; GABAA receptor γ2 subunit; GABAA receptor π subunit; GABAA receptor ρ1 subunit; GABAA receptor ρ2 subunit; GABAA receptor ρ3 subunit; GABAB1... click on ligand to see complete list
2(S)-amino-6-boronohexanoic acid
Targets
Arginase I; Arginase II
L-cysteine sulphinic acid
2-amino-3-sulfinopropanoic acid
Targets
AGC1; AGC2
eflornithine
Targets
Ornithine decarboxylase
L-aspartic acid
Targets
AGC2; Excitatory amino acid transporter 1; Excitatory amino acid transporter 3; Excitatory amino acid transporter 5; GluN2A; GluN2C; GluN2D; Glutamic acid decarboxylase 1; Glutamic acid decarboxylase 2; Sialin; mGlu2 receptor; mGlu5 receptor; mGlu6 receptor; mGlu7 receptor; mGlu8 receptor... click on ligand to see complete list
[3H]L-aspartic acid
Targets
Excitatory amino acid transporter 1; Excitatory amino acid transporter 2; Excitatory amino acid transporter 3; Excitatory amino acid transporter 4; Excitatory amino acid transporter 5
D-aspartic acid
Targets
Excitatory amino acid transporter 1; Excitatory amino acid transporter 2; Excitatory amino acid transporter 3; Excitatory amino acid transporter 4; Excitatory amino acid transporter 5; GluN1; GluN2A; GluN2B; GluN2C; GluN2D
[3H]D-aspartic acid
Targets
Excitatory amino acid transporter 1; Excitatory amino acid transporter 2; Excitatory amino acid transporter 3; Excitatory amino acid transporter 4; Excitatory amino acid transporter 5
Lys-thiol
Targets
Arginyl aminopeptidase
NG,NG-dimethyl-L-arginine
L-asparagine
Targets
Alanine/serine/cysteine transporter 2; B0AT1; B0AT2; Sodium-coupled neutral amino acid transporter 3; Sodium-coupled neutral amino acid transporter 5; sodium-coupled neutral amino acid transporter 1; sodium-coupled neutral amino acid transporter 2; sodium-coupled neutral amino acid transporter 4
L-serine
Targets
ATB0,+; Alanine/serine/cysteine transporter 1; Alanine/serine/cysteine transporter 2; B0AT1; B0AT2; CaS receptor; GPRC6 receptor; NTT4; Sodium-coupled neutral amino acid transporter 5; sodium-coupled neutral amino acid transporter 1; sodium-coupled neutral amino acid transporter 2; sodium-coupled neutral amino acid transporter 4
D-serine
Targets
GluN1; GluN2A; GluN2B; GluN2C; GluN2D; Proton-coupled Amino acid Transporter 1
L-methionine
Targets
ATB0,+; Alanine/serine/cysteine transporter 2; B0AT1; B0AT2; B0AT3; L-type amino acid transporter 3; L-type amino acid transporter 4; NTT4; sodium-coupled neutral amino acid transporter 1; sodium-coupled neutral amino acid transporter 2
β-Cyano-L-alanine
Targets
Cystathionine γ-lyase
NMDA
Targets
GluN1; GluN2A; GluN2B; GluN2C; GluN2D
β-alanine
Targets
MRGPRD; ATB0,+; GAT2; GAT3; Glycine Receptor (All subtypes); Proton-coupled Amino acid Transporter 1; TauT; Vesicular inhibitory amino acid transporter; glycine receptor α1 subunit; glycine receptor α2 subunit; glycine receptor α3 subunit
[3H]AP4
Targets
mGlu4 receptor; mGlu8 receptor
D-AP4
Targets
mGlu8 receptor
L-AP4
Targets
mGlu4 receptor; mGlu6 receptor; mGlu7 receptor; mGlu8 receptor
threo-3-methylglutamate
Targets
Excitatory amino acid transporter 2; Excitatory amino acid transporter 4
D-arginine
Targets
Mitochondrial ornithine transporter 2
L-arginine
Targets
Cationic amino acid transporter 3; Endothelial NOS; GPRC6 receptor; High affinity cationic amino acid transporter 1; Inducible NOS; L-Arginine decarboxylase ; Low affinity cationic amino acid transporter 2; Mitochondrial ornithine transporter 1 ; Mitochondrial ornithine transporter 2; Neuronal NOS; sodium-coupled neutral amino acid transporter 4
L-cysteine
Targets
Alanine/serine/cysteine transporter 1; Alanine/serine/cysteine transporter 2; Cystathionine β-synthase; Cystathionine γ-lyase; Excitatory amino acid transporter 3; L-Cysteine:2-oxoglutarate aminotransferase; NTT4; sodium-coupled neutral amino acid transporter 1
D-cysteine
Targets
Proton-coupled Amino acid Transporter 1
D-proline
Targets
Proton-coupled Amino acid Transporter 1
L-proline
Targets
B0AT1; B0AT2; CaS receptor; NTT4; PROT; Proton-coupled Amino acid Transporter 2; Proton-coupled Amino acid Transporter 4; SIT1; sodium-coupled neutral amino acid transporter 1; sodium-coupled neutral amino acid transporter 2; sodium-coupled neutral amino acid transporter 4
carglumic acid
s-allylglycine
Targets
Glutamic acid decarboxylase 1; Glutamic acid decarboxylase 2
SDMA
d-AP5
Targets
GluN2A; GluN2B; GluN2C; GluN2D
vigabatrin
Targets
4-aminobutyrate aminotransferase; Proton-coupled Amino acid Transporter 1; Vesicular inhibitory amino acid transporter
5-aminolevulinic acid
Targets
Peptide transporter 1; Peptide transporter 2; Proton-coupled Amino acid Transporter 1
aminoethoxyvinylglycine
Targets
Cystathionine γ-lyase
Nω-hydroxyarginine
Nω-hydroxy-nor-L-arginine