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Ligand

NameCHEMBL380907
Molecular formulaC32H41N5O3
IUPAC name2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
Molecular weight543.712
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.9
SynonymsSCHEMBL3919316
BDBM50410849
Inchi KeyATEVJIZSYFNEAX-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H41N5O3/c1-32(2,3)28(38)21-36-27-17-8-7-16-26(27)30(23-12-5-4-6-13-23)34-37(31(36)40)22-29(39)33-24-14-11-15-25(20-24)35-18-9-10-19-35/h7-8,11,14-17,20,23H,4-6,9-10,12-13,18-19,21-22H2,1-3H3,(H,33,39)
PubChem CID11613982
ChEMBLCHEMBL380907
IUPHARN/A
BindingDB50410849
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13883Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
13884Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
13885Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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