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BioLiP Library

PDB CCD ID: 7S9
Number of entries in BioLiP: 1
Chemical formula: C17 H24 N4
InChI: InChI=1S/C17H24N4/c1-13-8-16(20-17(18)9-13)5-4-14-10-15(12-19-11-14)6-7-21(2)3/h8-12H,4-7H2,1-3H3,(H2,18,20)
InChIKey: DKMOHXHCZRXLEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C)CCc1cncc(CCc2cc(C)cc(N)n2)c1
OpenEye OEToolkits 1.7.6Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C
Name:6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine
ZINC: ZINC000261090484
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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