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BioLiP

PDB CCD ID: DA4
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N O2 S
InChI: InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
InChIKey: WGEWFHNQCHZZMF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C#Cc1cccc(c1)S(=O)(=O)N
CACTVS 3.352N[S](=O)(=O)c1cccc(c1)C#C
Name:3-ethynylbenzenesulfonamide
ChEMBL: CHEMBL1232090
ZINC: ZINC000058650397
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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