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BioLiP

PDB CCD ID: 01R
Number of entries in BioLiP: 0
Chemical formula: C7 H11 N3
InChI: InChI=1S/C7H11N3/c8-3-6-10-7-1-4-9-5-2-7/h1-2,4-5H,3,6,8H2,(H,9,10)
InChIKey: HWVWEGOXLGPYDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1ccc(NCCN)cc1
CACTVS 3.370NCCNc1ccncc1
OpenEye OEToolkits 1.7.0c1cnccc1NCCN
Name:N-(pyridin-4-yl)ethane-1,2-diamine
ZINC: ZINC000015443014
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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