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- ChemComp-K1G: N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: K1G
NameName: N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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Chemical information

Composition
Formula: C10H15N5 / Number of atoms: 30 / Formula weight: 205.26 / Formal charge: 0
Others

5qjm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K1G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QJM
History
Create componentOct 25, 2018
Initial releaseDec 19, 2018
External linksUniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01n1cnc2n(C)ncc2c1N(C)C(C)C
CACTVS 3.385CC(C)N(C)c1ncnc2n(C)ncc12
OpenEye OEToolkits 2.0.6CC(C)N(C)c1c2cnn(c2ncn1)C

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SMILES CANONICAL

CACTVS 3.385CC(C)N(C)c1ncnc2n(C)ncc12
OpenEye OEToolkits 2.0.6CC(C)N(C)c1c2cnn(c2ncn1)C

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InChI

InChI 1.03InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3

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InChIKey

InChI 1.03ACQZDWVVKAKBAO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
OpenEye OEToolkits 2.0.6~{N},1-dimethyl-~{N}-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine

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PDB entries

Showing all 4 items

PDB-5qjm:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z328695024

PDB-5rgr:
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101)

PDB-5s4t:
Tubulin-Z328695024-complex

PDB-7hlt:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z328695024

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