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

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Open data


ID or keywords:

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Basic information

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

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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 componentJun 1, 2018
Initial releaseOct 10, 2018
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

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

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InChI

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

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InChIKey

InChI 1.03YFDMPSHJDVETSL-UHFFFAOYSA-N

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SYSTEMATIC NAME

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

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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

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