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BioLiP

PDB CCD ID: KMY
Number of entries in BioLiP: 8
Chemical formula: C9 H6 Cl N O2 S
InChI: InChI=1S/C9H6ClNO2S/c10-7-5-3-1-2-4-6(5)14-8(7)9(12)11-13/h1-4,13H,(H,11,12)
InChIKey: HRXULFWGEYSULN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1c2ccccc2sc1C(=O)NO
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c(s2)C(=O)NO)Cl
CACTVS 3.385ONC(=O)c1sc2ccccc2c1Cl
Name:3-chlorobenzothiophene-2-carbohydroxamic acid
ChEMBL: CHEMBL2094337
ZINC: ZINC000000307965
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)(download the PDF file).
  • 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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