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Ligand

NameCHEMBL482018
Molecular formulaC25H21Cl2F3N2O4S
IUPAC name(E)-3-[1-[(2,3-dichlorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]-N-(2,4,5-trifluorophenyl)sulfonylprop-2-enamide
Molecular weight573.408
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50255126
3-(1-(2,3-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
Inchi KeyHBOYIHIXTSNOBN-BQYQJAHWSA-N
Inchi IDInChI=1S/C25H21Cl2F3N2O4S/c1-25-9-3-5-14(24(25)32(22(34)12-25)13-15-4-2-6-16(26)23(15)27)7-8-21(33)31-37(35,36)20-11-18(29)17(28)10-19(20)30/h2,4,6-8,10-11H,3,5,9,12-13H2,1H3,(H,31,33)/b8-7+
PubChem CID44570668
ChEMBLCHEMBL482018
IUPHARN/A
BindingDB50255126
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
110735Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
110737Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
110736Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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