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BioLiP

PDB CCD ID: RZJ
Number of entries in BioLiP: 3
Chemical formula: C10 H14 N2 O2 S
InChI: InChI=1S/C10H14N2O2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3,(H2,11,13,14)
InChIKey: OUJFDUTZTPBMDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1CCCc2c1cc(cc2)S(=O)(=O)N
CACTVS 3.385CN1CCCc2ccc(cc12)[S](N)(=O)=O
Name:1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
ZINC: ZINC000074941908
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)(download the PDF file).
  • 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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