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BioLiP

PDB CCD ID: WNO
Number of entries in BioLiP: 17
Chemical formula: C15 H18 N4
InChI: InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1
InChIKey: KCAOHIFEVJIEQE-OAHLLOKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN1CCNC1c2cccc(n2)c3ccccn3
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCN1CCN[C@H]1c2cccc(n2)c3ccccn3
CACTVS 3.385CCN1CCN[CH]1c2cccc(n2)c3ccccn3
Name:2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine
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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