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- ChemComp-AX2: 1,3,5-triazine-2,4,6-triamine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: AX2
NameName: 1,3,5-triazine-2,4,6-triamine / Synonyms: Melamine

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Chemical information

Composition
Formula: C3H6N6 / Number of atoms: 15 / Formula weight: 126.12 / Formal charge: 0
Others

3bmm
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AX2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3BMM
History
Create componentDec 20, 2007
Modify descriptorJun 4, 2011
Modify synonymsDec 19, 2012
Modify synonymsMar 1, 2021
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 10.04n1c(nc(nc1N)N)N
CACTVS 3.341Nc1nc(N)nc(N)n1
OpenEye OEToolkits 1.5.0c1(nc(nc(n1)N)N)N

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SMILES CANONICAL

CACTVS 3.341Nc1nc(N)nc(N)n1
OpenEye OEToolkits 1.5.0c1(nc(nc(n1)N)N)N

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InChI

InChI 1.03InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

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InChIKey

InChI 1.03JDSHMPZPIAZGSV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,3,5-triazine-2,4,6-triamine
OpenEye OEToolkits 1.5.01,3,5-triazine-2,4,6-triamine

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PDB entries

Showing all 3 items

PDB-3jqf:
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 1,3,5-triazine-2,4,6-triamine (AX2)

PDB-4bvs:
Cyanuric acid hydrolase: evolutionary innovation by structural concatenation.

PDB-6wk7:
Crystal Structure Analysis of a poly(thymine) DNA duplex

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