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BioLiP

PDB CCD ID: P6Z
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O
InChI: InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H
InChIKey: CGTQCZGDVDTRDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)n2ccnc2)C=O
CACTVS 3.385O=Cc1cccc(c1)n2ccnc2
Name:3-imidazol-1-ylbenzaldehyde
ZINC: ZINC000020357529
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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