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BioLiP

PDB CCD ID: SV4
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N3
InChI: InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
InChIKey: ATUSBQCZIPECGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		Cc1cccnc1N2CCCNCC2
Name:1-(3-methylpyridin-2-yl)-1,4-diazepane
ZINC: ZINC000019015162
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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