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BioLiP

PDB CCD ID: EHH
Number of entries in BioLiP: 1
Chemical formula: C18 H20 N4
InChI: InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3
InChIKey: LYFZPAXTPPYSEC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cnc(c1c2ccncc2)c3c(C)cc(CN)cc3C
OpenEye OEToolkits 2.0.6Cc1cc(cc(c1c2c(n(cn2)C)c3ccncc3)C)CN
Name:[3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)phenyl]methanamine
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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