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- ChemComp-PZO: PYRAZOLE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: PZO
NameName: pyrazole

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Chemical information

Composition
Formula: C3H4N2 / Number of atoms: 9 / Formula weight: 68.077 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PZO
History
Create componentDec 17, 2002
Modify descriptorJun 4, 2011
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

ACDLabs 10.04n1cccn1
CACTVS 3.341[nH]1cccn1
OpenEye OEToolkits 1.5.0c1c[nH]nc1

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SMILES CANONICAL

CACTVS 3.341[nH]1cccn1
OpenEye OEToolkits 1.5.0c1c[nH]nc1

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InChI

InChI 1.03InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)

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InChIKey

InChI 1.03WTKZEGDFNFYCGP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041H-pyrazole
OpenEye OEToolkits 1.5.01H-pyrazole

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PDB entries

Showing all 5 items

PDB-1n8k:
Horse Liver Alcohol Dehydrogenase Val292Thr Mutant Complexed to NAD+ and Pyrazole

PDB-5cdu:
I220V horse liver alcohol dehydrogenase complexed with NAD and pyrazole

PDB-5s79:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010910a

PDB-6qa3:
ERK2 mini-fragment binding

PDB-8g2x:
Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and pyrazole

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