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BioLiP Library

PDB CCD ID: A9R
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N5 O
InChI: InChI=1S/C17H15N5O/c1-21-10-12(8-20-21)13-11-22-15(14-5-3-4-6-18-14)9-19-17(22)7-16(13)23-2/h3-11H,1-2H3
InChIKey: QKGWUZMVBVLWES-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4ccccn4
ACDLabs 12.01n1cc(cn1C)c2cn3c(cnc3cc2OC)c4ncccc4
CACTVS 3.385COc1cc2ncc(n2cc1c3cnn(C)c3)c4ccccn4
Name:7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine
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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