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Ligand

NameCCK-A Agonist 21
Molecular formulaC37H36N4O5
IUPAC name2-[3-(1H-indol-3-ylmethyl)-3-methoxy-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
Molecular weight616.718
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM85148
CHEMBL328285
Inchi KeyDQWCJWUIFIKCRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H36N4O5/c1-25(2)40(28-18-20-29(45-3)21-19-28)34(42)24-39-32-16-10-11-17-33(32)41(27-12-6-5-7-13-27)36(44)37(46-4,35(39)43)22-26-23-38-31-15-9-8-14-30(26)31/h5-21,23,25,38H,22,24H2,1-4H3
PubChem CID10555804
ChEMBLCHEMBL328285
IUPHARN/A
BindingDB85148
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66684Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
66683Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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