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BioLiP

PDB CCD ID: VWG
Number of entries in BioLiP: 2
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)
InChIKey: RLBGLCXAYWCPDM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc(n2)C(=O)NO
ACDLabs 12.01N(O)C(=O)c1ccc2c(n1)cccc2
CACTVS 3.385ONC(=O)c1ccc2ccccc2n1
Name:N-hydroxyquinoline-2-carboxamide
ChEMBL: CHEMBL3798481
ZINC: ZINC000000500969
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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