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BioLiP

PDB CCD ID: H1Z
Number of entries in BioLiP: 2
Chemical formula: C10 H15 N O3 S
InChI: InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)
InChIKey: GJCVWKPGGOMFQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCOc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.6CCCCOc1ccc(cc1)S(=O)(=O)N
Name:4-butoxybenzenesulfonamide
ChEMBL: CHEMBL1338403
ZINC: ZINC000002454746
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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