+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A9I |
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Name | Name: Synonyms: N-1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-N-1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; 1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy- ...Synonyms: N-1'-[4-[2-(cyclopropylcarbonylamino)pyridin-4-yl]oxy-2,5-bis(fluoranyl)phenyl]-N-1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; 1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide; N-[4-[[2-[(Cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamide |
-Chemical information
Composition | Formula: C26H21F3N4O4 / Number of atoms: 58 / Formula weight: 510.465 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: A9I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Q4A | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / GtoPharmacology / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-7q4a:
Toxoplasma gondii PRP4K kinase domain (L715F) bound to altiratinib