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Ligand

NameCHEMBL3616852
Molecular formulaC13H18N4O4S
IUPAC name(1R,2S,4R,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
SynonymsBDBM50121653
SCHEMBL14317229
Inchi KeyINNYBEXRWKVEPM-VJVNAPCNSA-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+/m1/s1
PubChem CID71136655
ChEMBLCHEMBL3616852
IUPHARN/A
BindingDB50121653
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
479864Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
479863Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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