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BioLiP

PDB CCD ID: 86M
Number of entries in BioLiP: 2
Chemical formula: C15 H13 N3 O3
InChI: InChI=1S/C15H13N3O3/c1-20-14-7-12(9-19)13(8-17-14)21-10-11-3-2-5-18-6-4-16-15(11)18/h2-9H,10H2,1H3
InChIKey: XSXGYUKSWKGACV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1cc(c(cn1)OCc2cccn3c2ncc3)C=O
CACTVS 3.385COc1cc(C=O)c(OCc2cccn3ccnc23)cn1
ACDLabs 12.01c2cn3ccnc3c(COc1cnc(OC)cc1C=O)c2
Name:5-[(imidazo[1,2-a]pyridin-8-yl)methoxy]-2-methoxypyridine-4-carbaldehyde
ChEMBL: CHEMBL4094068
ZINC: ZINC000145941643
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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