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BioLiP

PDB CCD ID: 6W2
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N2 O3 S2
InChI: InChI=1S/C10H10N2O3S2/c1-15-8-2-4-9(5-3-8)17(13,14)12-10-11-6-7-16-10/h2-7H,1H3,(H,11,12)
InChIKey: FCHMFOFNAFKQJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(Nc1nccs1)c2ccc(OC)cc2
OpenEye OEToolkits 1.7.6COc1ccc(cc1)S(=O)(=O)Nc2nccs2
CACTVS 3.385COc1ccc(cc1)[S](=O)(=O)Nc2sccn2
Name:4-METHOXY-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
ChEMBL: CHEMBL3414689
ZINC: ZINC000000211272
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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