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BioLiP Library

PDB CCD ID: QMS
Number of entries in BioLiP: 3
Chemical formula: C10 H10 N2 O2 S
InChI: InChI=1S/C10H10N2O2S/c1-15(13,14)12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7,12H,1H3
InChIKey: XYEPUTZVZYUENX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[S](=O)(=O)Nc1cccc2cccnc12
OpenEye OEToolkits 1.5.0CS(=O)(=O)Nc1cccc2c1nccc2
ACDLabs 10.04O=S(=O)(Nc1cccc2cccnc12)C
Name:N-(QUINOLIN-8-YL)METHANESULFONAMIDE
ChEMBL: CHEMBL1235568
DrugBank: DB08451
ZINC: ZINC000000287668
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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