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Ligand

NameCHEMBL207104
Molecular formulaC21H20ClNO4S
IUPAC name2-[4-[(4-chlorophenyl)methyl]-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
Molecular weight417.904
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50184233
2-(4-(4-chlorobenzyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
Inchi KeyBCFNIKDKIBXOIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20ClNO4S/c1-28(26,27)16-7-9-19-18(11-16)17-8-4-14(10-20(24)25)21(17)23(19)12-13-2-5-15(22)6-3-13/h2-3,5-7,9,11,14H,4,8,10,12H2,1H3,(H,24,25)
PubChem CID44411896
ChEMBLCHEMBL207104
IUPHARN/A
BindingDB50184233
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20131Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
20130Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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