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BioLiP

PDB CCD ID: QVE
Number of entries in BioLiP: 11
Chemical formula: C12 H10 N2 O5
InChI: InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18)
InChIKey: ISBWTKCQKHNORE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O
OpenEye OEToolkits 2.0.5c1cc2c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O
Name:8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid
ZINC: ZINC000584905658
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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