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- ChemComp-5ZX: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 5ZX
NameName: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid

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Chemical information

Composition
Formula: C12H12N2O2S / Number of atoms: 29 / Formula weight: 248.301 / Formal charge: 0
Others

8hy2

Type: non-polymer / PDB classification: HETAIN / Three letter code: 5ZX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8HY2
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(CCc2ccccc2)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCc2c(nc(s2)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.385Nc1sc(CCc2ccccc2)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCc2c(nc(s2)N)C(=O)O

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InChI

InChI 1.06InChI=1S/C12H12N2O2S/c13-12-14-10(11(15)16)9(17-12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)(H,15,16)

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InChIKey

InChI 1.06JARXXMAFINZHLY-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-8hy2:
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid

PDB-8hy6:
Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid

PDB-8hyb:
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid

PDB-8jao:
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid

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