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BioLiP

PDB CCD ID: W6J
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N3
InChI: InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
InChIKey: YIVVBOYHOANILT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CNCCN(C1)c2ccccn2
ACDLabs 12.01C2CN(c1ncccc1)CCCN2
OpenEye OEToolkits 2.0.7c1ccnc(c1)N2CCCNCC2
Name:1-(pyridin-2-yl)-1,4-diazepane
ChEMBL: CHEMBL4515199
ZINC: ZINC000019015194
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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