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Ligand

NameCHEMBL303386
Molecular formulaC30H32N4O4
IUPAC nametert-butyl N-[(2R)-1-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular weight512.61
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50019238
[1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester
Inchi KeyBHERLKVKOAHWMG-GEPVFLLWSA-N
Inchi IDInChI=1S/C30H32N4O4/c1-30(2,3)38-29(37)31-23(19-20-13-7-5-8-14-20)27(35)33-26-28(36)34(4)24-18-12-11-17-22(24)25(32-26)21-15-9-6-10-16-21/h5-18,23,26H,19H2,1-4H3,(H,31,37)(H,33,35)/t23-,26?/m1/s1
PubChem CID13809511
ChEMBLCHEMBL303386
IUPHARN/A
BindingDB50019238
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
23689Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
23690Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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