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BioLiP

PDB CCD ID: QVS
Number of entries in BioLiP: 12
Chemical formula: C10 H8 N2 O3
InChI: InChI=1S/C10H8N2O3/c11-6-3-1-2-5-8(13)4-7(10(14)15)12-9(5)6/h1-4H,11H2,(H,12,13)(H,14,15)
InChIKey: KZBXAHDVCSOKJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc2c(O)cc(nc12)C(O)=O
OpenEye OEToolkits 2.0.5c1cc2c(cc(nc2c(c1)N)C(=O)O)O
Name:8-azanyl-4-oxidanyl-quinoline-2-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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