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BioLiP

PDB CCD ID: TLK
Number of entries in BioLiP: 1
Chemical formula: C17 H14 N2 O2
InChI: InChI=1S/C17H14N2O2/c1-21-16-11-13(12-20)7-8-15(16)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
InChIKey: VPVOFFUNHDIJQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1n2ccnc2c3ccccc3)C=O
CACTVS 3.385COc1cc(C=O)ccc1n2ccnc2c3ccccc3
Name:3-methoxy-4-(2-phenylimidazol-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)(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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