DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Tyrosine-protein kinase BTK
Ligand Name
(2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DZSBLWYJPNCWLI-FGZHOGPDSA-N
SMILES
CC(C)(C)CC(C#N)C(=O)N1CCCC(C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 4YHF
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Color Legend
Unassigned regionsLigand / hetero atomse4yhfA1e4yhfB1
ECOD domains from experimental PDB structures interacting with ligand 4C9
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q06187n/a4C94yhfe4yhfA1A:391-658
Q06187n/a4C94yhfe4yhfB1B:390-658