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- ChemComp-60J: 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 60J
NameName: 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid

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Chemical information

Composition
Formula: C10H10N2O2S2 / Number of atoms: 26 / Formula weight: 254.329 / Formal charge: 0
Others

8hyc

Type: non-polymer / PDB classification: HETAIN / Three letter code: 60J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8HYC
History
Create componentJan 10, 2023
Initial releaseNov 1, 2023
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 3.385Nc1sc(CCc2sccc2)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(sc1)CCc2c(nc(s2)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.385Nc1sc(CCc2sccc2)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(sc1)CCc2c(nc(s2)N)C(=O)O

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InChI

InChI 1.06InChI=1S/C10H10N2O2S2/c11-10-12-8(9(13)14)7(16-10)4-3-6-2-1-5-15-6/h1-2,5H,3-4H2,(H2,11,12)(H,13,14)

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InChIKey

InChI 1.06SUXXXFYCNZRVEM-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-8hyc:
Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid

PDB-8hyd:
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid

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