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Ligand

NameCHEMBL3093610
Molecular formulaC22H15N3O4S
IUPAC name2-[1-[4-(1,3-thiazole-4-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
Molecular weight417.439
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50444220
Inchi KeyARHSQYCGAQRIMP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H15N3O4S/c26-19(27)9-14-10-23-20(17-4-2-1-3-16(14)17)21(28)13-5-7-15(8-6-13)25-22(29)18-11-30-12-24-18/h1-8,10-12H,9H2,(H,25,29)(H,26,27)
PubChem CID72736700
ChEMBLCHEMBL3093610
IUPHARN/A
BindingDB50444220
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
12488Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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