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Ligand

NameCHEMBL1684725
Molecular formulaC20H22N2O5S2
IUPAC name2-[5-methyl-6-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-b]pyrrol-4-yl]acetic acid
Molecular weight434.525
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.2
SynonymsBDBM50338156
2-(5-methyl-6-(4-(morpholinosulfonyl)benzyl)-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid
Inchi KeyATPAWLVIHLGKER-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N2O5S2/c1-14-18(12-19(23)24)17-6-11-28-20(17)22(14)13-15-2-4-16(5-3-15)29(25,26)21-7-9-27-10-8-21/h2-6,11H,7-10,12-13H2,1H3,(H,23,24)
PubChem CID53326243
ChEMBLCHEMBL1684725
IUPHARN/A
BindingDB50338156
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
14176Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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