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BioLiP

PDB CCD ID: Z2Z
Number of entries in BioLiP: 4
Chemical formula: C10 H9 N O2 S
InChI: InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKey: RPUNNHCLJDHINC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01CS(=O)(=O)c1cccc2cccnc12
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1cccc2c1nccc2
CACTVS 3.385C[S](=O)(=O)c1cccc2cccnc12
Name:8-(methanesulfonyl)quinoline
ZINC: ZINC000039140297
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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