BioLiP

PDB

BioLiP

PDB CCD ID:

F7T

Number of entries in BioLiP:

Chemical formula:

C15 H15 Cl2 N3 O3 Pt S

InChI:

InChI=1S/C15H15N3O3S.2ClH.Pt/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13;;;/h1-4,6-9H,5,10-11H2,(H,19,20,21);2*1H;/q;;;+4/p-2

InChIKey:

IZMHGJJPSRRFIR-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O
CACTVS 3.385	O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl

Name:

alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex

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).