Chemical Components in the PDB

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ZJZ : Summary

Code

ZJZ

One-letter code

X

Molecule 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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 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

Formula

C14 H12 Cl N4 Pt S

Formal charge

0

Molecular weight

498.868 Da

SMILES

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

IUPAC 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-;

IUPAC InChI key

QEUVFWYAJJGIQM-AAKIMCHBSA-N
ZJZ

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-04-01

Last modified at

2024-03-22

Status

Released

Obsoleted

Not Assigned