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Ligand

NameCHEMBL227330
Molecular formulaC32H38N4O5
IUPAC name3-[3-[[2-[5-cyclohexyl-1-(2-cyclopentyl-2-oxoethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]phenyl]propanoic acid
Molecular weight558.679
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.1
SynonymsSCHEMBL3913222
BDBM50411336
L022199
Inchi KeyNNOLAMDMDMSDDD-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H38N4O5/c37-28(23-10-4-5-11-23)20-35-27-16-7-6-15-26(27)31(24-12-2-1-3-13-24)34-36(32(35)41)21-29(38)33-25-14-8-9-22(19-25)17-18-30(39)40/h6-9,14-16,19,23-24H,1-5,10-13,17-18,20-21H2,(H,33,38)(H,39,40)
PubChem CID16733466
ChEMBLCHEMBL227330
IUPHARN/A
BindingDB50411336
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
227848Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
227849Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
227850Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453
227851Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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