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BioLiP Library

PDB CCD ID: WKS
Number of entries in BioLiP: 3
Chemical formula: C10 H16 N4
InChI: InChI=1S/C10H16N4/c1-8-7-10(13-9(2)12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
InChIKey: NARMKNJWXHFJFF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc(n1)C)N2CCNCC2
ACDLabs 12.01C1CNCCN1c2cc(C)nc(n2)C
CACTVS 3.385Cc1cc(nc(C)n1)N2CCNCC2
Name:2,4-dimethyl-6-(piperazin-1-yl)pyrimidine
ZINC: ZINC000004945061
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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