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Ligand

NameCHEMBL389713
Molecular formulaC31H36N6O5
IUPAC name2-[6-[[2-[5-cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indazol-1-yl]acetic acid
Molecular weight572.666
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.6
SynonymsSCHEMBL3916758
BDBM50002888
Inchi KeyABYTWJURXOUFNH-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H36N6O5/c1-31(2,3)26(38)17-35-24-12-8-7-11-23(24)29(20-9-5-4-6-10-20)34-37(30(35)42)18-27(39)33-22-14-13-21-16-32-36(19-28(40)41)25(21)15-22/h7-8,11-16,20H,4-6,9-10,17-19H2,1-3H3,(H,33,39)(H,40,41)
PubChem CID16732444
ChEMBLCHEMBL389713
IUPHARN/A
BindingDB50002888
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1319Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
1320Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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