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BioLiP

PDB CCD ID: S4V
Number of entries in BioLiP: 3
Chemical formula: C11 H11 N3
InChI: InChI=1S/C11H11N3/c12-9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h1-8H,12H2,(H,13,14)
InChIKey: SMNUYINHUNGHMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccccc1Nc2ccccn2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)N)Nc2ccccn2
Name:~{N}2-pyridin-2-ylbenzene-1,2-diamine
ZINC: ZINC000000202968
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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