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BioLiP

PDB CCD ID: GNJ
Number of entries in BioLiP: 2
Chemical formula: C10 H7 N O6 S
InChI: InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)
InChIKey: FKTVHRZETGCILU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O
CACTVS 3.385OC(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O
ACDLabs 12.01c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O
Name:4-hydroxy-8-sulfoquinoline-3-carboxylic acid
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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