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Ligand

NameCHEMBL378388
Molecular formulaC28H34N4O4
IUPAC name2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-N-(3-hydroxyphenyl)acetamide
Molecular weight490.604
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50410848
SCHEMBL3910850
Inchi KeyDVFKNTWLTRDSFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H34N4O4/c1-28(2,3)24(34)17-31-23-15-8-7-14-22(23)26(19-10-5-4-6-11-19)30-32(27(31)36)18-25(35)29-20-12-9-13-21(33)16-20/h7-9,12-16,19,33H,4-6,10-11,17-18H2,1-3H3,(H,29,35)
PubChem CID11712880
ChEMBLCHEMBL378388
IUPHARN/A
BindingDB50410848
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
69882Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
69881Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
69883Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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