+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AER | ||
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Name | Name: Synonyms: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol Comment | medication*YM | |
-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: HETAD / Three letter code: AER / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3RUK | ||||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / 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 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 6 items
PDB-3ruk:
Human Cytochrome P450 CYP17A1 in complex with Abiraterone
PDB-4nkv:
Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
PDB-4r1z:
Zebra fish cytochrome P450 17A1 with Abiraterone
PDB-4r20:
Zebra fish cytochrome P450 17A2 with Abiraterone
PDB-6b82:
Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex
PDB-6wr1:
Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone