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Yorodumi- ChemComp-VNS: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: VNS |
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Name | Name: ( |
-Chemical information
Composition | Formula: C31H29FN4O3S / Number of atoms: 69 / Formula weight: 556.65 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: VNS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7JXQ | ||||
History |
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External links | UniChem / 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 5 items
PDB-7jxq:
EGFR kinase (T790M/V948R) in complex with allosteric inhibitor JBJ-09-063
PDB-7jxw:
EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-09-063
PDB-7k1h:
EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063
PDB-7k1i:
EGFR kinase (L858R/V948R) in complex with allosteric inhibitor JBJ-09-063
PDB-7lg8:
EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor