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Ligand

NameCHEMBL3290734
Molecular formulaC32H27ClN4O7
IUPAC name2-[[(E)-3-[5-chloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxycarbonyl-3-methyl-1-benzofuran-2-yl]prop-2-enoyl]amino]acetic acid
Molecular weight615.039
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50019495
Inchi KeyBYPOYJAQQHIBLX-ZHACJKMWSA-N
Inchi IDInChI=1S/C32H27ClN4O7/c1-18-24(10-11-27(38)35-17-28(39)40)43-26-9-8-21(33)30(29(18)26)32(42)44-25-12-13-34-16-20(25)31(41)37-15-14-36(19-6-7-19)22-4-2-3-5-23(22)37/h2-5,8-13,16,19H,6-7,14-15,17H2,1H3,(H,35,38)(H,39,40)/b11-10+
PubChem CID90644457
ChEMBLCHEMBL3290734
IUPHARN/A
BindingDB50019495
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
35984G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
35985G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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