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Ligand

NameCHEMBL3616857
Molecular formulaC11H12F2N4O4S
IUPAC name(1R,2S,4S,5R,6R)-2-amino-4-[[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular weight334.298
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP-2.3
SynonymsBDBM50121540
SCHEMBL14305770
Inchi KeyHQTAUDRHEUIJTC-CUQKDWFASA-N
Inchi IDInChI=1S/C11H12F2N4O4S/c12-6(13)7-15-10(17-16-7)22-2-1-11(14,9(20)21)5-3(2)4(5)8(18)19/h2-6H,1,14H2,(H,18,19)(H,20,21)(H,15,16,17)/t2-,3-,4-,5-,11-/m0/s1
PubChem CID71131322
ChEMBLCHEMBL3616857
IUPHARN/A
BindingDB50121540
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
477913Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
477914Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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