BioLiP

PDB

BioLiP

PDB CCD ID:

298

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	C\C=C\C=NCCCCN=C\C=C/C
ACDLabs 10.04	N(=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 1.5.0	C\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, Lydia 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).