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BioLiP

PDB CCD ID: IEB
Number of entries in BioLiP: 4
Chemical formula: C18 H18 N6 O
InChI: InChI=1S/C18H18N6O/c1-12-20-17-16(19-11-24(17)3)18(21-12)25-10-15-22-14(9-23(15)2)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
InChIKey: FGJNVAWVKKSKHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(nc1COc2nc(C)nc3n(C)cnc23)c4ccccc4
OpenEye OEToolkits 2.0.7Cc1nc2c(c(n1)OCc3nc(cn3C)c4ccccc4)ncn2C
ACDLabs 12.01Cn1cc(nc1COc1nc(C)nc2c1ncn2C)c1ccccc1
Name:2,9-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-9H-purine
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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