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Yorodumi- ChemComp-919: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 919 |
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Name | Name: Synonyms: DCC-2036 |
-Chemical information
Composition | Formula: C30H28FN7O3 / Number of atoms: 69 / Formula weight: 553.587 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 919 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QRI | ||||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / 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 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | |
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-PDB entries
Showing all 6 items
PDB-3qri:
The crystal structure of human abl1 kinase domain in complex with DCC-2036
PDB-3qrj:
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
PDB-5g6v:
Crystal structure of the PCTAIRE1 kinase in complex with inhibitor
PDB-6cnh:
Human PRPF4B in complex with Rebastinib
PDB-6mwe:
CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919
PDB-8u8b:
Cryo-EM structure of LRRK2 bound to type II inhibitor rebastinib