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Ligand

NameCHEMBL515607
Molecular formulaC28H36N4O4
IUPAC name(2S,4R)-4-methoxy-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
Molecular weight492.62
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50246608
SCHEMBL4195589
(4R)-4-Methoxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline-N,N-dimethylamide
Inchi KeyAWOLMGJLKPNBDY-NOZRDPDXSA-N
Inchi IDInChI=1S/C28H36N4O4/c1-19-15-21(26(33)31-14-8-7-10-20-9-5-6-11-24(20)31)12-13-22(19)17-29-28(35)32-18-23(36-4)16-25(32)27(34)30(2)3/h5-6,9,11-13,15,23,25H,7-8,10,14,16-18H2,1-4H3,(H,29,35)/t23-,25+/m1/s1
PubChem CID10206789
ChEMBLCHEMBL515607
IUPHARN/A
BindingDB50246608
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16217Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371
16218Vasopressin V2 receptorQ00788Avpr2Rattus norvegicus (Rat)371

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