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Ligand

NameCHEMBL226620
Molecular formulaC30H34N4O5
IUPAC name3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
Molecular weight530.625
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50411347
L022190
SCHEMBL3912917
Inchi KeyYMDDEXCAAGMUQT-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34N4O5/c35-26(20-9-4-5-10-20)18-33-25-16-7-6-15-24(25)28(21-11-2-1-3-12-21)32-34(30(33)39)19-27(36)31-23-14-8-13-22(17-23)29(37)38/h6-8,13-17,20-21H,1-5,9-12,18-19H2,(H,31,36)(H,37,38)
PubChem CID16731872
ChEMBLCHEMBL226620
IUPHARN/A
BindingDB50411347
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
413524Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
413523Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
413525Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453
413526Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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