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Ligand

NameCHEMBL1914491
Molecular formulaC20H15ClO6S
IUPAC name2-[4-chloro-2-[2-(2,2-dimethyl-1,1,3-trioxo-1-benzothiophen-6-yl)ethynyl]phenoxy]acetic acid
Molecular weight418.844
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL1368916
BDBM50356717
Inchi KeyABJKBOPGGPGJEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15ClO6S/c1-20(2)19(24)15-7-4-12(9-17(15)28(20,25)26)3-5-13-10-14(21)6-8-16(13)27-11-18(22)23/h4,6-10H,11H2,1-2H3,(H,22,23)
PubChem CID56595051
ChEMBLCHEMBL1914491
IUPHARN/A
BindingDB50356717
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
906Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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