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- ChemComp-ABV: 1,3-benzothiazol-2-amine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: ABV
NameName: 1,3-benzothiazol-2-amine / Synonyms: 2-Aminobenzothiazole

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Chemical information

Composition
Formula: C7H6N2S / Number of atoms: 16 / Formula weight: 150.201 / Formal charge: 0
Others

3mhw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ABV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3MHW
History
Create componentApr 12, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01n1c2ccccc2sc1N
CACTVS 3.370Nc1sc2ccccc2n1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)nc(s2)N

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SMILES CANONICAL

CACTVS 3.370Nc1sc2ccccc2n1
OpenEye OEToolkits 1.7.0c1ccc2c(c1)nc(s2)N

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InChI

InChI 1.03InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

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InChIKey

InChI 1.03UHGULLIUJBCTEF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,3-benzothiazol-2-amine
OpenEye OEToolkits 1.7.01,3-benzothiazol-2-amine

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PDB entries

Showing all 5 items

PDB-3mhw:
The complex crystal Structure of Urokianse and 2-Aminobenzothiazole

PDB-4b34:
Humanised monomeric RadA in complex with 2-amino benzothiazole

PDB-6qoi:
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 12 (2-Aminobenzothiazole)

PDB-7h8p:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56912586 (CHIKV_MacB-x1271)

PDB-8rff:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data

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