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BioLiP

PDB CCD ID: 0R0
Number of entries in BioLiP: 8
Chemical formula: C7 H5 N O
InChI: InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKey: CHZCERSEMVWNHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Oc1ccccc1C#N
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C#N)O
ACDLabs 12.01N#Cc1ccccc1O
Name:2-hydroxybenzonitrile;
2-Cyanophenol
ChEMBL: CHEMBL195342
ZINC: ZINC000000388252
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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