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Ligand

NameCHEMBL179036
Molecular formulaC21H21FN2O4S
IUPAC name2-[(3R)-3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
Molecular weight416.467
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
SynonymsSCHEMBL16558828
{3-[((R)-4-Fluoro-benzenesulfonyl)-methyl-amino]-1,2,3,4-tetrahydro-carbazol-9-yl}-acetic acid
ZINC13608926
BDBM50161745
FT4
[ Show all ]
Inchi KeyCANCTKXGRVNXFP-OAHLLOKOSA-N
Inchi IDInChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
PubChem CID25817650
ChEMBLCHEMBL179036
IUPHARN/A
BindingDB50161745
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37324Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
37322Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
37323Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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