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Ligand

NameCHEMBL475128
Molecular formulaC27H32F2N4O3
IUPAC name(2S)-1-N-[[4-(5,5-difluoro-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-methylphenyl]methyl]-2-N,2-N-dimethylpyrrolidine-1,2-dicarboxamide
Molecular weight498.575
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50246719
1-(4-(5,5-Difluoro-2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)-2-methylbenzylcarbamoyl)-Lproline-N,N-dimethylamide
Inchi KeyBZKOKCITTQGGFF-QHCPKHFHSA-N
Inchi IDInChI=1S/C27H32F2N4O3/c1-18-16-19(24(34)32-15-7-13-27(28,29)21-8-4-5-9-22(21)32)11-12-20(18)17-30-26(36)33-14-6-10-23(33)25(35)31(2)3/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17H2,1-3H3,(H,30,36)/t23-/m0/s1
PubChem CID25178962
ChEMBLCHEMBL475128
IUPHARN/A
BindingDB50246719
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36534Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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