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BioLiP

PDB CCD ID: 6Q0
Number of entries in BioLiP: 1
Chemical formula: C18 H18 N2 O3 S
InChI: InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)16-10-8-15(9-11-16)12-19-24(21,22)17-6-4-3-5-7-17/h3-11,19H,12H2,1-2H3
InChIKey: RZFYAEOEPOUGRI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3
CACTVS 3.385Cc1onc(C)c1c2ccc(CN[S](=O)(=O)c3ccccc3)cc2
Name:~{N}-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]benzenesulfonamide
ZINC: ZINC000584904841
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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