+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VL1 | ||
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Name | Name: Synonyms: N-{4-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]phenyl}-N'-{4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl}urea Wikipedia | Wikipedia - Gedatolisib: Gedatolisib is an experimental drug for treatment of cancer in development by Celcuity, Inc. The mechanism of action is accomplished by binding the different p110 catalytic subunit isoforms of PI3K and the kinase site of mTOR.
| The drug was originally developed by Wyeth, which Pfizer acquired in 2009... |
-Chemical information
Composition | Formula: C32H41N9O4 / Number of atoms: 86 / Formula weight: 615.726 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: VL1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7JWE | ||||||
History |
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External links | UniChem / BindingDB / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / 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-7jwe:
Gedatolisib bound to the PI3Kg catalytic subunit p110 gamma