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BioLiP

PDB CCD ID: 1U1
Number of entries in BioLiP: 2
Chemical formula: C5 H4 Cl N O4 S2
InChI: InChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11)
InChIKey: DLCJPZJBDWBNQJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N
CACTVS 3.370N[S](=O)(=O)c1cc(Cl)sc1C(O)=O
ACDLabs 12.01O=S(=O)(c1c(sc(Cl)c1)C(=O)O)N
Name:5-chloro-3-sulfamoylthiophene-2-carboxylic acid
ZINC: ZINC000019737390
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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