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BioLiP

PDB CCD ID: A1H5R
Number of entries in BioLiP: 2
Chemical formula: C16 H18 N4
InChI: InChI=1S/C16H18N4/c1-4-12-7-5-6-8-14(12)20(3)16-9-15-13(10-17-16)18-11-19(15)2/h5-11H,4H2,1-3H3
InChIKey: LTPPDHRPLXVHMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1ccccc1N(C)c2cc3n(C)cnc3cn2
OpenEye OEToolkits 2.0.7CCc1ccccc1N(C)c2cc3c(cn2)ncn3C
Name:~{N}-(2-ethylphenyl)-~{N},1-dimethyl-imidazo[4,5-c]pyridin-6-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).
  • 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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