ChemComp-GV1: ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

Basic information

• Entry: Database: PDB chemical components / ID: GV1
• Name: Name: ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

Chemical information

Composition

Formula: C₁₀H₁₃N₃S / Number of atoms: 27 / Formula weight: 207.295 / Formal charge: 0

Others

5qi4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GV1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QI4

History

Create component	Jun 1, 2018
Initial release	Oct 10, 2018

• External links: UniChem / ChemSpider / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: CN(C)c1ncnc2sc(C)c(C)c12
• OpenEye OEToolkits 2.0.6: Cc1c(sc2c1c(ncn2)N(C)C)C

SMILES CANONICAL

• CACTVS 3.385: CN(C)c1ncnc2sc(C)c(C)c12
• OpenEye OEToolkits 2.0.6: Cc1c(sc2c1c(ncn2)N(C)C)C

InChI

• InChI 1.03: InChI=1S/C10H13N3S/c1-6-7(2)14-10-8(6)9(13(3)4)11-5-12-10/h5H,1-4H3

InChIKey

• InChI 1.03: YFDMPSHJDVETSL-UHFFFAOYSA-N

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.6: ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine

PDB entries

Showing all 6 items

PDB-5qdu:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000466a

PDB-5qi4:
PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000466a

PDB-5r5e:
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13848a

PDB-5rhw:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z31222641

PDB-7frg:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z31222641

PDB-7gs8:
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000466a