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BioLiP

PDB CCD ID: S9E
Number of entries in BioLiP: 2
Chemical formula: C9 H6 Br N3 O
InChI: InChI=1S/C9H6BrN3O/c10-9-11-3-4-13(9)8-2-1-7(6-14)5-12-8/h1-6H
InChIKey: UTJFEWWYRZDGSU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1nccn1c2ccc(C=O)cn2
OpenEye OEToolkits 2.0.7c1cc(ncc1C=O)n2ccnc2Br
Name:6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde
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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