Chemical Components in the PDB

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D4G : Summary

Code

D4G

One-letter code

X

Molecule name

4,4'-DIPYRIDYL DISULFIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 4,4'-disulfanediyldipyridine
OpenEye OEToolkits 1.5.0 4-pyridin-4-yldisulfanylpyridine

Formula

C10 H8 N2 S2

Formal charge

0

Molecular weight

220.314 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 S(Sc1ccncc1)c2ccncc2
SMILES CACTVS 3.341 S(Sc1ccncc1)c2ccncc2
SMILES OpenEye OEToolkits 1.5.0 c1cnccc1SSc2ccncc2
Canonical SMILES CACTVS 3.341 S(Sc1ccncc1)c2ccncc2
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnccc1SSc2ccncc2

IUPAC InChI

InChI=1S/C10H8N2S2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H

IUPAC InChI key

UHBAPGWWRFVTFS-UHFFFAOYSA-N
D4G

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-12-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned