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BioLiP Library

PDB CCD ID: 7EH
Number of entries in BioLiP: 3
Chemical formula: C13 H12 N4
InChI: InChI=1S/C13H12N4/c1-17-12-11(16-13(17)14)7-10(8-15-12)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)
InChIKey: UZJBSXZLYIGJOT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1c(N)nc2cc(cnc12)c3ccccc3
OpenEye OEToolkits 2.0.6Cn1c2c(cc(cn2)c3ccccc3)nc1N
ACDLabs 12.01Nc1nc2c(n1C)ncc(c2)c3ccccc3
Name:3-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-amine
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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