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Ligand

NameCHEMBL3977508
Molecular formulaC18H17Cl2N3O5S
IUPAC name(1R,2R,3S,4S,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-4-(1H-imidazol-2-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular weight458.31
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP-0.5
SynonymsBDBM50204268
SCHEMBL8831778
Inchi KeyAAQAEWBPCIXLCR-WCPNNMOOSA-N
Inchi IDInChI=1S/C18H17Cl2N3O5S/c19-8-2-1-7(5-9(8)20)6-28-14-13(29-17-22-3-4-23-17)10-11(15(24)25)12(10)18(14,21)16(26)27/h1-5,10-14H,6,21H2,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12-,13-,14+,18+/m0/s1
PubChem CID67705326
ChEMBLCHEMBL3977508
IUPHARN/A
BindingDB50204268
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
535924Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
535925Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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