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- ChemComp-CFA: (2,4-DICHLOROPHENOXY)ACETIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: CFA
NameName: (2,4-dichlorophenoxy)acetic acid / Synonyms: 2,4-DICHLOROPHENOXYACETIC ACID

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Chemical information

Composition
Formula: C8H6Cl2O3 / Number of atoms: 19 / Formula weight: 221.037 / Formal charge: 0
Others

1gqx

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CFA / Model coordinates PDB-ID: 1GQX
History
Create componentDec 5, 2001
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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

ACDLabs 10.04Clc1cc(Cl)ccc1OCC(=O)O
CACTVS 3.341OC(=O)COc1ccc(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)Cl)OCC(=O)O

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SMILES CANONICAL

CACTVS 3.341OC(=O)COc1ccc(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1cc(c(cc1Cl)Cl)OCC(=O)O

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InChI

InChI 1.03InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

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InChIKey

InChI 1.03OVSKIKFHRZPJSS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2,4-dichlorophenoxy)acetic acid
OpenEye OEToolkits 1.5.02-(2,4-dichlorophenoxy)ethanoic acid

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PDB entries

Showing all 6 items

PDB-2p1n:
Mechanism of Auxin Perception by the TIR1 Ubiqutin Ligase

PDB-6d3i:
ftv7 dioxygenase with 2,4-D bound

PDB-6e1q:
AtGH3.15 acyl acid amido synthetase in complex with 2,4-DB

PDB-7kki:
Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 2,4-Dichlorophenoxyacetic acid

PDB-7uod:
Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with 2,4-dichloro-phenoxyacetic acid

PDB-9g0w:
auxin transporter PIN8 as asymmetric dimer (inward/outward) with 2,4-D bound in the inward vestibule prebinding state

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