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Yorodumi- ChemComp-65B: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 65B | ||||
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Name | Name: Synonyms: Etravine; Etravirine Wikipedia | Wikipedia - Etravirine: Etravirine (ETR, brand name Intelence, formerly known as TMC125) is a drug used for the treatment of HIV. Etravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI)... | Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C20H15BrN6O / Number of atoms: 43 / Formula weight: 435.277 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAD / Three letter code: 65B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1SV5 | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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