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- ChemComp-5TZ: 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 5TZ
NameName: 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

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Chemical information

Composition
Formula: C9H7N3O2S / Number of atoms: 22 / Formula weight: 221.236 / Formal charge: 0
Others

5f2s

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5TZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5F2S
History
Create componentDec 2, 2015
Initial releaseJan 20, 2016
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEMBL / PubChem / 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

CACTVS 3.385Nc1scc(n1)c2cc(ccn2)C(O)=O
OpenEye OEToolkits 2.0.4c1cnc(cc1C(=O)O)c2csc(n2)N

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SMILES CANONICAL

CACTVS 3.385Nc1scc(n1)c2cc(ccn2)C(O)=O
OpenEye OEToolkits 2.0.4c1cnc(cc1C(=O)O)c2csc(n2)N

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InChI

InChI 1.03InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)

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InChIKey

InChI 1.03FAOZNCYQMCTIBT-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.42-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid

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PDB entries

Showing all 1 items

PDB-5f2s:
Crystal structure of human KDM4A in complex with compound 15

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