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BioLiP

PDB CCD ID: 298
Number of entries in BioLiP: 2
Chemical formula: C12 H20 N2
InChI: InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,6-4+,13-9+,14-10?
InChIKey: GWPFNFBITHRYML-AQVGAVBMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C\C=C\C=NCCCCN=C\C=C/C
ACDLabs 10.04N(=C\C=C\C)\CCCC/N=C/C=C\C
CACTVS 3.341
OpenEye OEToolkits 1.5.0
CC=CC=NCCCCN=CC=CC
OpenEye OEToolkits 1.5.0C\C=C\C=NCCCC/N=C/C=C\C
Name:N-[(1E,2Z)-but-2-en-1-ylidene]-N'-[(2E)-but-2-en-1-ylidene]butane-1,4-diamine

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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