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- ChemComp-TE4: Tetracaine -

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Basic information

EntryDatabase: PDB chemical components / ID: TE4
NameName: Tetracaine / Synonyms: 2-(dimethylamino)ethyl 4-(butylamino)benzoate

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Chemical information

Composition
Formula: C15H24N2O2 / Number of atoms: 43 / Formula weight: 264.363 / Formal charge: 0
Others

4omw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TE4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4OMW
History
Create componentFeb 11, 2014
Initial releaseNov 19, 2014
Modify nameFeb 6, 2015
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / 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 12.01O=C(OCCN(C)C)c1ccc(NCCCC)cc1
CACTVS 3.385CCCCNc1ccc(cc1)C(=O)OCCN(C)C
OpenEye OEToolkits 1.7.6CCCCNc1ccc(cc1)C(=O)OCCN(C)C

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SMILES CANONICAL

CACTVS 3.385CCCCNc1ccc(cc1)C(=O)OCCN(C)C
OpenEye OEToolkits 1.7.6CCCCNc1ccc(cc1)C(=O)OCCN(C)C

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InChI

InChI 1.03InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3

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InChIKey

InChI 1.03GKCBAIGFKIBETG-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(dimethylamino)ethyl 4-(butylamino)benzoate
OpenEye OEToolkits 1.7.62-(dimethylamino)ethyl 4-(butylamino)benzoate

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PDB entries

Showing all 6 items

PDB-4omw:
Crystal structure of goat beta-lactoglobulin (orthorhombic form)

PDB-4y0p:
Bovine beta-lactoglobulin complex with tetracaine (BLG-TET)

PDB-6yqg:
Crystal structure of native Phycocyanin in spacegroup P63 at 1.45 Angstroms.

PDB-7bf7:
Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine

PDB-7bf8:
Mutant I56F of recombinant bovine beta-lactoglobulin in complex with tetracaine

PDB-7bf9:
Mutant M107L of recombinant bovine beta-lactoglobulin in complex with tetracaine

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