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BioLiP

PDB CCD ID: M5B
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N3 O2 S2
InChI: InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10)
InChIKey: ATSVZZXTTMVGSI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2
CACTVS 3.385O=[S](=O)(Nc1[nH]ccn1)c2sccc2
Name:~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
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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