DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Tyrosine-protein kinase JAK1
Ligand Name
2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BKUZTJNOISYCFG-YWZLYKJASA-N
SMILES
c1cc(c(c(c1)Cl)C#N)N2CCC(C2)C(CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 6SM8
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse6sm8A1e6sm8B1
ECOD domains from experimental PDB structures interacting with ligand LKT
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P23458n/aLKT6sm8e6sm8A1A:853-1154
P23458n/aLKT6sm8e6sm8B1B:865-1154