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Ligand

NameCHEMBL2017868
Molecular formulaC31H38IN3O6S
IUPAC name1-[1-[2-[2-[(Z)-3-iodoprop-2-enoxy]-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Molecular weight707.624
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50380757
Inchi KeyZJWAEMNLDJQLSS-TVPGTPATSA-N
Inchi IDInChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4-
PubChem CID57519947
ChEMBLCHEMBL2017868
IUPHARN/A
BindingDB50380757
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
430242Oxytocin receptorP30559OXTRHomo sapiens (Human)389
430244Vasopressin V1a receptorQ9WTV9Avpr1aMicrotus ochrogaster (Prairie vole)420
430246Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
430243Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
430245Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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