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Yorodumi- ChemComp-AS0: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-D... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AS0 | ||
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Name | Name: Wikipedia | Wikipedia - Asoprisnil: Asoprisnil (INN; developmental code name J-867) is a synthetic, steroidal selective progesterone receptor modulator that was under development by Schering and TAP Pharmaceutical Products for the treatment of uterine fibroids. In 2005, phase III clinical trials were discontinued due to endometrial changes in patients.
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-Chemical information
Composition | Formula: C28H35NO4 / Number of atoms: 68 / Formula weight: 449.582 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AS0 / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 | ||||||
History |
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External links | UniChem / ChEMBL / 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 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 3 items
PDB-2ovh:
Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT
PDB-2ovm:
Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR
PDB-4a2j:
PR X-Ray structures in agonist conformations reveal two different mechanisms for partial agonism in 11beta-substituted steroids