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Ligand

NameCHEMBL3421896
Molecular formulaC30H30Cl2N4O5
IUPAC nameethyl 2-[3-[2,5-dichloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxyphenyl]propanoylamino]acetate
Molecular weight597.493
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50081120
Inchi KeyFJUDTUNRZFLVMO-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H30Cl2N4O5/c1-2-40-29(38)18-34-28(37)10-7-19-15-23(32)27(16-22(19)31)41-26-11-12-33-17-21(26)30(39)36-14-13-35(20-8-9-20)24-5-3-4-6-25(24)36/h3-6,11-12,15-17,20H,2,7-10,13-14,18H2,1H3,(H,34,37)
PubChem CID71626905
ChEMBLCHEMBL3421896
IUPHARN/A
BindingDB50081120
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444871G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
444872G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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