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Ligand

NameCHEMBL207203
Molecular formulaC23H24ClNO5S
IUPAC name2-[(3R)-4-[(4-chlorophenyl)methyl]-5-(1-hydroxyethyl)-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
Molecular weight461.957
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
Synonyms2-((R)-4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
BDBM50184217
SCHEMBL10312745
Inchi KeyACIAOTYWHUSEBZ-AWKYBWMHSA-N
Inchi IDInChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)/t13?,15-/m1/s1
PubChem CID11294166
ChEMBLCHEMBL207203
IUPHARN/A
BindingDB50184217
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1594Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
1598Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
1596Prostaglandin E2 receptor EP1 subtypeP34995PTGER1Homo sapiens (Human)402
1595Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358
1591Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
1597Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
1593Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
1592Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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