+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 537 | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C14H8N2O / Number of atoms: 25 / Formula weight: 220.226 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 537 / Model coordinates PDB-ID: 1PMV | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 |
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-PDB entries
Showing all 5 items
PDB-1pmv:
The structure of JNK3 in complex with a dihydroanthrapyrazole inhibitor
PDB-1uki:
Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125
PDB-2zmd:
Crystal structure of human Mps1 catalytic domain T686A mutant in complex with SP600125 inhibitor
PDB-4feu:
Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor anthrapyrazolone SP600125
PDB-5lvl:
Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site