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Attributes

UniProt ID
Protein Name
Tyrosine-protein kinase BTK
Ligand Name
4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IGXJXMLDIIGDNE-UHFFFAOYSA-N
SMILES
Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4NWM
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Color Legend
Unassigned regionsLigand / hetero atomse4nwmA1e4nwmB1
ECOD domains from experimental PDB structures interacting with ligand 2P5
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q06187n/a2P54nwme4nwmA1A:395-657
Q06187n/a2P54nwme4nwmB1B:395-657