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- ChemComp-5RG: 2-amino-5-fluorobenzoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 5RG
NameName: 2-amino-5-fluorobenzoic acid

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Chemical information

Composition
Formula: C7H6FNO2 / Number of atoms: 17 / Formula weight: 155.126 / Formal charge: 0
Others

3t78

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5RG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3T78
History
Create componentAug 3, 2011
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 12.01O=C(O)c1cc(F)ccc1N
CACTVS 3.370Nc1ccc(F)cc1C(O)=O
OpenEye OEToolkits 1.7.2c1cc(c(cc1F)C(=O)O)N

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SMILES CANONICAL

CACTVS 3.370Nc1ccc(F)cc1C(O)=O
OpenEye OEToolkits 1.7.2c1cc(c(cc1F)C(=O)O)N

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InChI

InChI 1.03InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

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InChIKey

InChI 1.03FPQMGQZTBWIHDN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-amino-5-fluorobenzoic acid
OpenEye OEToolkits 1.7.22-azanyl-5-fluoranyl-benzoic acid

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PDB entries

Showing all 5 items

PDB-3t78:
Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in Complex with 5-Fluoroanthranilate

PDB-4own:
Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with 5-fluoroanthranilate, PRPP and Magnesium

PDB-7hjl:
PanDDA analysis group deposition -- Crystal structure of ABLE in complex with ZINC000000165667

PDB-7hqr:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z56946871

PDB-7hr2:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z56946871

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