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BioLiP

PDB CCD ID: MQI
Number of entries in BioLiP: 0
Chemical formula: C10 H9 N O2 S
InChI: InChI=1S/C10H9NO2S/c1-7-5-8-3-2-4-9(14(12)13)10(8)11-6-7/h2-6,14H,1H3
InChIKey: RPLVDIXQTLHWEQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2cccc(c2nc1)S(=O)=O
CACTVS 3.341Cc1cnc2c(cccc2[SH](=O)=O)c1
ACDLabs 10.04O=S(=O)c1cccc2cc(cnc12)C
Name:8-HYDROSULFONYL-2-METHYLQUINOLINE
ZINC: ZINC000150344661
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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