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Ligand

NameCHEMBL207201
Molecular formulaC24H20BrClN2O4S
IUPAC name2-[5-bromo-4-[(7-chloroquinolin-2-yl)methyl]-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
Molecular weight547.848
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50184222
SCHEMBL18269275
2-(5-bromo-4-((7-chloroquinolin-2-yl)methyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
Inchi KeyBLCSPVPYFJDQID-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20BrClN2O4S/c1-33(31,32)17-10-19-18-7-4-14(8-22(29)30)23(18)28(24(19)20(25)11-17)12-16-6-3-13-2-5-15(26)9-21(13)27-16/h2-3,5-6,9-11,14H,4,7-8,12H2,1H3,(H,29,30)
PubChem CID44411555
ChEMBLCHEMBL207201
IUPHARN/A
BindingDB50184222
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26408Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
26409Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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