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Yorodumi- ChemComp-K0I: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: K0I |
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Name | Name: Synonyms: 3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid |
-Chemical information
Composition | Formula: C22H23N5O2 / Number of atoms: 52 / Formula weight: 389.45 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: K0I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ASK / Replaces: URY | ||||||||
History |
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External links | BindingDB / UniChem / Brenda / 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 5 items
PDB-3zpo:
Crystal structure of JmjC domain of human histone demethylase UTY with bound GSK J1
PDB-4ask:
CRYSTAL STRUCTURE OF JMJD3 WITH GSK-J1
PDB-5fpu:
Crystal structure of human JARID1B in complex with GSKJ1
PDB-6dq4:
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
PDB-6g8f:
Crystal structure of UTX complexed with GSK-J1