+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BXA | ||
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Name | Name: Wikipedia | Wikipedia - Bromoacetic acid: Bromoacetic acid is the chemical compound with the formula BrCH2CO2H. This colorless solid is a relatively strong alkylating agent... | |
-Chemical information
Composition | Formula: C2H3BrO2 / Number of atoms: 8 / Formula weight: 138.948 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BXA / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3NN7 | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / ChemicalBook / CompTox / DrugBank / LipidMaps / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.0 | |
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-PDB entries
Showing all 4 items
PDB-3nn7:
Crystal structure of Thermolysin in complex with 2-bromoacetate
PDB-3r3x:
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate
PDB-4qh1:
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with bromoacetate
PDB-6adc:
Crystal structure of the E148A mutant CLC-ec1 in the presence of 50mM bromoacetate