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BioLiP

PDB CCD ID: V2K
Number of entries in BioLiP: 1
Chemical formula: C16 H14 N2 O2
InChI: InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3
InChIKey: GCZSSCUCVAUGKC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1nc2cc(ccc2n1c3ccc(cc3)C=O)OC
CACTVS 3.385COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3
Name:4-(5-methoxy-2-methyl-benzimidazol-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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