+Open data
-Basic information
Entry | Database: PDB chemical components / ID: UDJ | ||
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Name | Name: (Wikipedia | Wikipedia - 3-Keto-5α-abiraterone: 3-Keto-5α-abiraterone, also known as 17-(3-pyridyl)-5α-androst-16-en-3-one, is an active metabolite of abiraterone acetate that has been found to possess androgenic activity and to stimulate prostate cancer progression. It is formed as follows: abiraterone acetate to abiraterone by esterases; abiraterone to Δ4-abiraterone by 3β-hydroxysteroid dehydrogenase/Δ5-4 isomerase; and Δ4-abiraterone to 3-keto-5α-abiraterone by 5α-reductase... | |
-Chemical information
Composition | Formula: C24H31NO / Number of atoms: 57 / Formula weight: 349.509 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: UDJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6WW0 | ||||
History |
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External links | Brenda / CompTox / UniChem / 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 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | ( | |
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-PDB entries
Showing all 1 items
PDB-6ww0:
Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog