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BioLiP Library

PDB CCD ID: 9IZ
Number of entries in BioLiP: 1
Chemical formula: C23 H21 N5
InChI: InChI=1S/C23H21N5/c1-4-13-24-19(8-1)16-28(17-20-9-2-5-14-25-20)18-21-10-7-12-23(27-21)22-11-3-6-15-26-22/h1-15H,16-18H2
InChIKey: IAYCCYKQDTVUPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C(N(Cc1ccccn1)Cc2cccc(n2)c3ccccn3)c4ccccn4
OpenEye OEToolkits 2.0.7c1ccnc(c1)CN(Cc2ccccn2)Cc3cccc(n3)c4ccccn4
Name:1-pyridin-2-yl-~{N}-(pyridin-2-ylmethyl)-~{N}-[(6-pyridin-2-ylpyridin-2-yl)methyl]methanamine
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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