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- ChemComp-HR5: ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: HR5
NameName: ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide

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Chemical information

Composition
Formula: C11H17N3O / Number of atoms: 32 / Formula weight: 207.272 / Formal charge: 0
Others

6q8z

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HR5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q8Z
History
Create componentDec 17, 2018
Initial releaseJan 23, 2019
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 3.385Cn1ncc(C(=O)NCC2CCC2)c1C
OpenEye OEToolkits 2.0.6Cc1c(cnn1C)C(=O)NCC2CCC2

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SMILES CANONICAL

CACTVS 3.385Cn1ncc(C(=O)NCC2CCC2)c1C
OpenEye OEToolkits 2.0.6Cc1c(cnn1C)C(=O)NCC2CCC2

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InChI

InChI 1.03InChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)

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InChIKey

InChI 1.03WFWUJGIABNGBBR-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide

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PDB entries

Showing all 6 items

PDB-5qr1:
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z396380540

PDB-5qsq:
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z396380540

PDB-5rm6:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z396380540

PDB-5s5q:
Tubulin-Z396380540-complex

PDB-6q8z:
Structure of human galactokinase 1 bound with N-(Cyclobutylmethyl)-1,5-dimethyl-1H-pyrazole-4-carboxamide

PDB-7nqu:
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z396380540

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