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Ligand

NameCHEMBL390276
Molecular formulaC32H32N4O5
IUPAC name3-[[2-[5-cyclohexyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
Molecular weight552.631
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsSCHEMBL3910925
BDBM50411337
Inchi KeyAZYWHZJBCDCHPW-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H32N4O5/c1-21-10-5-6-15-25(21)28(37)19-35-27-17-8-7-16-26(27)30(22-11-3-2-4-12-22)34-36(32(35)41)20-29(38)33-24-14-9-13-23(18-24)31(39)40/h5-10,13-18,22H,2-4,11-12,19-20H2,1H3,(H,33,38)(H,39,40)
PubChem CID16732753
ChEMBLCHEMBL390276
IUPHARN/A
BindingDB50411337
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18620Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
18617Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453
18618Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
18619Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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