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BioLiP

PDB CCD ID: A1L36
Number of entries in BioLiP: 4
Chemical formula: C7 H3 Br2 N O
InChI: InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey: UPMXNNIRAGDFEH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1c(Br)cc(cc1Br)C#N
OpenEye OEToolkits 2.0.7c1c(cc(c(c1Br)O)Br)C#N
Name:bromoxynil;
3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile
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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