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BioLiP

PDB CCD ID: UUJ
Number of entries in BioLiP: 5
Chemical formula: C7 H4 Br N O
InChI: InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKey: PVCONXMDUZOPJH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1Br)C#N)O
CACTVS 3.385Oc1ccc(Br)cc1C#N
ACDLabs 12.01c1(cc(c(cc1)O)C#N)Br
Name:5-bromo-2-hydroxybenzonitrile
ChEMBL: CHEMBL2323844
ZINC: ZINC000002516785
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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