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BioLiP

PDB CCD ID: WRN
Number of entries in BioLiP: 1
Chemical formula: C10 H6 N2 O
InChI: InChI=1S/C10H6N2O/c11-6-8-5-4-7-2-1-3-9(13)10(7)12-8/h1-5,13H
InChIKey: KUQKKIBQVSFDHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2ccc(nc2c(c1)O)C#N
CACTVS 3.385Oc1cccc2ccc(nc12)C#N
ACDLabs 12.01Oc1cccc2ccc(C#N)nc12
Name:8-hydroxyquinoline-2-carbonitrile
ChEMBL: CHEMBL2321985
ZINC: ZINC000000156915
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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