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Attributes

UniProt ID
Protein Name
Tyrosine-protein kinase ITK/TSK
Ligand Name
7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IYIPJBAPGVUHNG-UHFFFAOYSA-N
SMILES
Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3MJ1
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Color Legend
Unassigned regionsLigand / hetero atomse3mj1A2
ECOD domains from experimental PDB structures interacting with ligand 614
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q08881n/a6143mj1e3mj1A2A:355-501,A:521-615