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Ligand

NameCHEMBL3616859
Molecular formulaC13H18N4O4S
IUPAC name(1R,2S,4S,5R,6R)-2-amino-4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular weight326.371
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-1.8
SynonymsSCHEMBL14317228
BDBM50121641
Inchi KeyINNYBEXRWKVEPM-JIUQRFSRSA-N
Inchi IDInChI=1S/C13H18N4O4S/c1-4(2)9-15-12(17-16-9)22-5-3-13(14,11(20)21)8-6(5)7(8)10(18)19/h4-8H,3,14H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)/t5-,6-,7-,8-,13-/m0/s1
PubChem CID71136654
ChEMBLCHEMBL3616859
IUPHARN/A
BindingDB50121641
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
479861Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
479862Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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