Chemical Components in the PDB

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KD8 : Summary

Code

KD8

One-letter code

X

Molecule name

6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one

Formula

C8 H8 N4 O S

Formal charge

0

Molecular weight

208.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1nc2NC(=S)NC(=O)c2nc1C
SMILES OpenEye OEToolkits 2.0.7 Cc1c(nc2c(n1)C(=O)NC(=S)N2)C
Canonical SMILES CACTVS 3.385 Cc1nc2NC(=S)NC(=O)c2nc1C
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1c(nc2c(n1)C(=O)NC(=S)N2)C

IUPAC InChI

InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)

IUPAC InChI key

FMPVXDGAZOSEMT-UHFFFAOYSA-N
KD8

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

2019-05-14

Last modified at

2020-04-10

Status

Released

Obsoleted

Not Assigned