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Ligand

NameCHEMBL259276
Molecular formulaC31H38N4O6
IUPAC name3-[3-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2,4-dioxo-1,3,5-benzotriazepin-3-yl]acetyl]amino]phenyl]propanoic acid
Molecular weight562.667
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50411976
SCHEMBL5441488
Inchi KeyDCDJQVPDQHYOFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H38N4O6/c1-31(2,3)26(36)19-33-24-14-7-8-15-25(24)35(23-12-5-4-6-13-23)30(41)34(29(33)40)20-27(37)32-22-11-9-10-21(18-22)16-17-28(38)39/h7-11,14-15,18,23H,4-6,12-13,16-17,19-20H2,1-3H3,(H,32,37)(H,38,39)
PubChem CID44451622
ChEMBLCHEMBL259276
IUPHARN/A
BindingDB50411976
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
56242Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
56241Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447
56243Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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