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Ligand

NameCHEMBL2017979
Molecular formulaC29H37N3O6S
IUPAC name1-[1-[2-[2-methoxy-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight555.69
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50380760
Inchi KeyFAVRBEXAAWYPRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H37N3O6S/c1-37-27-20-25(38-24-13-17-31(18-14-24)39(2,35)36)9-7-22(27)19-29(34)30-15-11-23(12-16-30)32-26-6-4-3-5-21(26)8-10-28(32)33/h3-7,9,20,23-24H,8,10-19H2,1-2H3
PubChem CID57520031
ChEMBLCHEMBL2017979
IUPHARN/A
BindingDB50380760
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
73883Oxytocin receptorP30559OXTRHomo sapiens (Human)389
73884Vasopressin V1a receptorQ9WTV9Avpr1aMicrotus ochrogaster (Prairie vole)420
73887Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
73886Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
73885Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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