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Ligand

NameCHEMBL572983
Molecular formulaC32H41N3O7S2
IUPAC name1-[2-[1-(2,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]ethylsulfonyl]-N-[(3-methoxyphenyl)methyl]piperidin-4-amine
Molecular weight643.814
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50299354
1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)-N-(3-methoxybenzyl)piperidin-4-amine
Inchi KeySYIZKKJKESEDAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H41N3O7S2/c1-40-28-9-6-7-24(21-28)23-33-26-15-18-34(19-16-26)43(36,37)20-17-27-12-11-25-8-4-5-10-30(25)35(27)44(38,39)32-14-13-29(41-2)22-31(32)42-3/h4-10,13-14,21-22,26-27,33H,11-12,15-20,23H2,1-3H3
PubChem CID45483241
ChEMBLCHEMBL572983
IUPHARN/A
BindingDB50299354
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
326249Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
326250Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
326251Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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