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Ligand

NameSCHEMBL507891
Molecular formulaC22H21F3N2O4S
IUPAC name2-[3,5-dimethyl-1-[[4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]methyl]pyrazol-4-yl]acetic acid
Molecular weight466.475
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsUS8791272, 16.3
CHEMBL3686049
BDBM127292
Inchi KeyACAQKLCGPSVGRZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21F3N2O4S/c1-14-20(11-21(28)29)15(2)27(26-14)12-16-3-5-17(6-4-16)13-32(30,31)19-9-7-18(8-10-19)22(23,24)25/h3-10H,11-13H2,1-2H3,(H,28,29)
PubChem CID58071759
ChEMBLCHEMBL3686049
IUPHARN/A
BindingDB127292
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
1376Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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