BioLiP

PDB

BioLiP

PDB CCD ID:

ZJZ

Number of entries in BioLiP:

Chemical formula:

C14 H12 Cl N4 Pt S

InChI:

InChI=1S/C14H12ClN4S.Pt/c15-10-6-7-12(16)11(8-10)13(18-19-14(17)20)9-4-2-1-3-5-9;/h1-4,6-8H,16H2,(H3,17,19,20);/b18-13-;

InChIKey:

QEUVFWYAJJGIQM-AAKIMCHBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=[N]3[Pt]2[S]=C(N3)N)c4cc(ccc4N)Cl
CACTVS 3.385	NC(=S)NN=C(c1cc(Cl)ccc1N)c2ccccc2[Pt]

Name:

7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-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).