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Ligand

NameCHEMBL472900
Molecular formulaC27H32N4O4
IUPAC name(2S)-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]-4-oxopyrrolidine-1,2-dicarboxamide
Molecular weight476.577
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.3
Synonyms1-(2-Methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzyl-carbamoyl)-4-oxo-L-proline-N,N-dimethylamide
BDBM50246612
Inchi KeyBTXQLIVAQDBTSH-DEOSSOPVSA-N
Inchi IDInChI=1S/C27H32N4O4/c1-18-14-20(25(33)30-13-7-6-9-19-8-4-5-10-23(19)30)11-12-21(18)16-28-27(35)31-17-22(32)15-24(31)26(34)29(2)3/h4-5,8,10-12,14,24H,6-7,9,13,15-17H2,1-3H3,(H,28,35)/t24-/m0/s1
PubChem CID25178960
ChEMBLCHEMBL472900
IUPHARN/A
BindingDB50246612
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
32786Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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