BioLiP

PDB

BioLiP

PDB CCD ID:

U5U

Number of entries in BioLiP:

Chemical formula:

C15 H15 N4 Pd S

InChI:

InChI=1S/C15H16N4S.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-11H,1-2H3,(H,18,20);/q;+1/p-1/b17-14+;

InChIKey:

KOLIMVKKIDYABX-KLSJZZFUSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)C1=N[N]2=C(C3=CC=CC=[N]3[Pd]2S1)c4ccccc4
CACTVS 3.385	CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd]

Name:

~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine

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).