BioLiP

PDB

BioLiP

PDB CCD ID:

SNF

Number of entries in BioLiP:

Chemical formula:

C15 H16 N4 Ni

InChI:

InChI=1S/C15H16N4.Ni/c1-13(19-12-15-7-3-5-9-18-15)10-16-11-14-6-2-4-8-17-14;/h2-9,11-13H,10H2,1H3;/b16-11+,19-12+;/t13-;/m1./s1

InChIKey:

YWFIBUKMYHZULK-UBTITEMDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[Ni]\|1\|2\|3\|N(=Cc4ccccn\|14)C[C@@H](C)N\|2=Cc5ccccn\|35
OpenEye OEToolkits 1.7.6	C[C@@H]1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3
CACTVS 3.385	[Ni]\|1\|2\|3\|N(=Cc4ccccn\|14)C[CH](C)N\|2=Cc5ccccn\|35
OpenEye OEToolkits 1.7.6	CC1C[N]2=CC3=[N]([Ni]24[N]1=CC5=CC=CC=[N]45)C=CC=C3
ACDLabs 12.01	c5n2c(C=N3CC(N4=Cc1ccccn1[Ni]234)C)ccc5

Name:

(N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt

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).