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Ligand

NameCHEMBL479439
Molecular formulaC25H21Cl2F3N2O4S
IUPAC name(E)-3-[1-[(2,4-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
SynonymsBDBM50255169
3-(1-(2,4-dichlorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(2,4,5-trifluorophenylsulfonyl)acrylamide
Inchi KeyAIVSMELJQNTESK-FNORWQNLSA-N
Inchi IDInChI=1S/C25H21Cl2F3N2O4S/c1-25-8-2-3-14(24(25)32(23(34)12-25)13-15-4-6-16(26)9-17(15)27)5-7-22(33)31-37(35,36)21-11-19(29)18(28)10-20(21)30/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,31,33)/b7-5+
PubChem CID44570712
ChEMBLCHEMBL479439
IUPHARN/A
BindingDB50255169
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6567Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
6565Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
6564Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
6566Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359

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