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Ligand

NameCHEMBL552211
Molecular formulaC20H20FN3O4S
IUPAC name2-[(6R)-6-[(4-fluorophenyl)sulfonyl-methylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid
Molecular weight417.455
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50296985
(R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-dihydro-5H-pyrido[2,3-b]indol-9(6H)-yl)acetic acid
Inchi KeyDBIFFPLSGSBZGY-CQSZACIVSA-N
Inchi IDInChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-7-4-13(21)5-8-15)14-6-9-18-17(11-14)16-3-2-10-22-20(16)24(18)12-19(25)26/h2-5,7-8,10,14H,6,9,11-12H2,1H3,(H,25,26)/t14-/m1/s1
PubChem CID45270148
ChEMBLCHEMBL552211
IUPHARN/A
BindingDB50296985
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
55699Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
55700Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
55698Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
55701Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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