+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 38Z |
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Name | Name: ( |
-Chemical information
Composition | Formula: C33H33N9O2 / Number of atoms: 77 / Formula weight: 587.674 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 38Z / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4QTA | ||||
History |
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External links | BindingDB / UniChem / ChEBI / ChEMBL / ChemicalBook / 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 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | ( | |
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-PDB entries
Showing all 6 items
PDB-4qta:
Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
PDB-4qtb:
Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
PDB-4qtc:
Structure of human haspin (GSG2) in complex with SCH772984 revealing the first type-I binding mode
PDB-4qtd:
Structure of human JNK1 in complex with SCH772984 and the AMPPNP-hydrolysed triphosphate revealing the second type-I binding mode
PDB-5hd4:
Dissecting Therapeutic Resistance to ERK Inhibition Rat Wild Type SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
PDB-5hd7:
Dissecting Therapeutic Resistance to ERK Inhibition Rat Mutant SCH772984 in complex with (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide