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BioLiP

PDB CCD ID: STC
Number of entries in BioLiP: 4
Chemical formula: C11 H8 Cl N O4 S2
InChI: InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKey: YRWKEEDITQJPCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl
CACTVS 3.341OC(=O)c1sccc1[S](=O)(=O)Nc2ccc(Cl)cc2
ACDLabs 10.04O=C(O)c1sccc1S(=O)(=O)Nc2ccc(Cl)cc2
Name:3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-2-CARBOXYLIC ACID
ChEMBL: CHEMBL372227
DrugBank: DB08573
ZINC: ZINC000000116295
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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