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BioLiP

PDB CCD ID: UFH
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Br N2 O
InChI: InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
InChIKey: KDYPLUPJLQBYJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1n2ccnc2)Br)C=O
CACTVS 3.385Brc1cc(ccc1C=O)n2ccnc2
Name:2-bromanyl-4-imidazol-1-yl-benzaldehyde
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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