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BioLiP

PDB CCD ID: 3W3
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O3 S
InChI: InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
InChIKey: OYORSBMGLVESSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(OCC=C)cc1
OpenEye OEToolkits 1.7.6C=CCOc1ccc(cc1)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c1ccc(OC\C=C)cc1
Name:4-(allyloxy)benzenesulfonamide;
4-(prop-2-en-1-yloxy)benzenesulfonamide
ChEMBL: CHEMBL3402960
ZINC: ZINC000059971236
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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