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Ligand

NameCHEMBL227254
Molecular formulaC30H37N9O3
IUPAC name2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-[3-[methyl(2H-tetrazol-5-yl)amino]phenyl]acetamide
Molecular weight571.686
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50411338
SCHEMBL13868190
Inchi KeyFYQXEGHPESKWGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H37N9O3/c1-30(2,3)25(40)18-38-24-16-9-8-15-23(24)27(20-11-6-5-7-12-20)34-39(29(38)42)19-26(41)31-21-13-10-14-22(17-21)37(4)28-32-35-36-33-28/h8-10,13-17,20H,5-7,11-12,18-19H2,1-4H3,(H,31,41)(H,32,33,35,36)
PubChem CID16732020
ChEMBLCHEMBL227254
IUPHARN/A
BindingDB50411338
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
90459Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
90458Gastrin/cholecystokinin type B receptorP30552CCKBRCanis lupus familiaris (Dog)453
90460Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
90461Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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