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- ChemComp-UVS: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: UVS
NameName: 5-(methoxymethyl)-1,3,4-thiadiazol-2-amine

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Chemical information

Composition
Formula: C4H7N3OS / Number of atoms: 16 / Formula weight: 145.183 / Formal charge: 0
Others

5rk5

Type: non-polymer / PDB classification: HETAIN / Three letter code: UVS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RK5
History
Create componentJun 2, 2020
Initial releaseJun 17, 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

ACDLabs 12.01n1nc(COC)sc1N
CACTVS 3.385COCc1sc(N)nn1
OpenEye OEToolkits 2.0.7COCc1nnc(s1)N

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SMILES CANONICAL

CACTVS 3.385COCc1sc(N)nn1
OpenEye OEToolkits 2.0.7COCc1nnc(s1)N

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InChI

InChI 1.03InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)

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InChIKey

InChI 1.03ZLDOCTTXAVVDHG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-(methoxymethyl)-1,3,4-thiadiazol-2-amine
OpenEye OEToolkits 2.0.75-(methoxymethyl)-1,3,4-thiadiazol-2-amine

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PDB entries

Showing all 4 items

PDB-5rk5:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z57478994

PDB-7h3i:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57478994 (A71EV2A-x0396)

PDB-7hmn:
PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z57478994

PDB-8pl1:
Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 2.

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