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BioLiP

PDB CCD ID: 4ZC
Number of entries in BioLiP: 4
Chemical formula: C7 H4 Cl N O
InChI: InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey: XWQDMIXVAYAZGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(cc1Cl)C#N)O
CACTVS 3.385Oc1ccc(Cl)cc1C#N
ACDLabs 12.01Oc1c(cc(cc1)Cl)C#N
Name:5-chloro-2-hydroxybenzonitrile
ZINC: ZINC000000159885
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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