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BioLiP

PDB CCD ID: 8N6
Number of entries in BioLiP: 1
Chemical formula: C19 H20 N2 O3 S
InChI: InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)/t17-/m0/s1
InChIKey: HYAFETHFCAUJAY-KRWDZBQOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3
CACTVS 3.385CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1
OpenEye OEToolkits 2.0.6CCc1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3
CACTVS 3.385CCc1ccc(CCOc2ccc(C[CH]3SC(=O)NC3=O)cc2)nc1
Name:(5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;
Pioglitazone
ZINC: ZINC000000968326
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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