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- ChemComp-S7J: 2-(trifluoromethyl)pyrimidine-5-carboxamide -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: S7J
NameName: 2-(trifluoromethyl)pyrimidine-5-carboxamide

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Chemical information

Composition
Formula: C6H4F3N3O / Number of atoms: 17 / Formula weight: 191.111 / Formal charge: 0
Others

5r8d

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S7J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R8D
History
Create componentMar 5, 2020
Initial releaseApr 22, 2020
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 3.385NC(=O)c1cnc(nc1)C(F)(F)F
OpenEye OEToolkits 2.0.6c1c(cnc(n1)C(F)(F)F)C(=O)N

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SMILES CANONICAL

CACTVS 3.385NC(=O)c1cnc(nc1)C(F)(F)F
OpenEye OEToolkits 2.0.6c1c(cnc(n1)C(F)(F)F)C(=O)N

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InChI

InChI 1.03InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)

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InChIKey

InChI 1.03OKRNBFHZDGTDRX-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-5r8d:
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1745658474 in complex with INTERLEUKIN-1 BETA

PDB-5rm3:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1745658474

PDB-5ryl:
INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1745658474

PDB-5rzn:
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1745658474

PDB-5s38:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z1745658474

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