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BioLiP

PDB CCD ID: TJK
Number of entries in BioLiP: 1
Chemical formula: C16 H9 Br2 F N2 O
InChI: InChI=1S/C16H9Br2FN2O/c17-11-2-4-15(19)13(7-11)16-20-5-6-21(16)12-3-1-10(9-22)14(18)8-12/h1-9H
InChIKey: SJZKTIPXGWBWIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3
OpenEye OEToolkits 2.0.7c1cc(c(cc1n2ccnc2c3cc(ccc3F)Br)Br)C=O
Name:2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde;
PC2068B
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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