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Ligand

NameCHEMBL432266
Molecular formulaC33H32FN9O3
IUPAC name1-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(2H-tetrazol-5-yl)phenyl]urea
Molecular weight621.677
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.8
Synonyms1-[1-[2-(3-Aza-bicyclo[3.2.2]non-3-yl)-2-oxo-ethyl]-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-[3-(1H-tetrazol-5-yl)-phenyl]-urea
BDBM50070467
SCHEMBL9056049
Inchi KeyAGMNHLBQRZHCJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H32FN9O3/c34-26-10-3-1-8-24(26)29-25-9-2-4-11-27(25)43(19-28(44)42-17-20-12-13-21(18-42)15-14-20)32(45)31(36-29)37-33(46)35-23-7-5-6-22(16-23)30-38-40-41-39-30/h1-11,16,20-21,31H,12-15,17-19H2,(H2,35,37,46)(H,38,39,40,41)
PubChem CID9960703
ChEMBLCHEMBL432266
IUPHARN/A
BindingDB50070467
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
5015Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
5016Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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