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BioLiP

PDB CCD ID: QJ4
Number of entries in BioLiP: 4
Chemical formula: C19 H28 N4
InChI: InChI=1S/C19H28N4/c1-14-10-16(22-18(20)12-14)8-6-4-3-5-7-9-17-11-15(2)13-19(21)23-17/h10-13H,3-9H2,1-2H3,(H2,20,22)(H2,21,23)
InChIKey: FSVLONGGRYPEKX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C
ACDLabs 12.01n1c(N)cc(cc1CCCCCCCc2nc(N)cc(c2)C)C
CACTVS 3.370Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1
Name:6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine)
ChEMBL: CHEMBL2414428
ZINC: ZINC000096282516
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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