BioLiP

PDB

BioLiP

PDB CCD ID:

PT9

Number of entries in BioLiP:

Chemical formula:

C20 H16 N6 Pt

InChI:

InChI=1S/C20H16N6.Pt/c1-3-13-21-17(9-1)25-19-11-5-7-15(23-19)16-8-6-12-20(24-16)26-18-10-2-4-14-22-18;/h1-14H,(H,21,23,25)(H,22,24,26);

InChIKey:

ZLWQJMSFYZEZJF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6=CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2
CACTVS 3.385	[Pt].N(c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3

Name:

[Pt(H2bapbpy)] platinum

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).