DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Tyrosine-protein kinase JAK1
Ligand Name
[4-(imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)piperidin-1-yl][(2S)-1-(propan-2-yl)pyrrolidin-2-yl]methanone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XDHQVHVOFHWRNB-SFHVURJKSA-N
SMILES
CC(C)N1CCCC1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 4E5W
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 atomse4e5wA2e4e5wB2
ECOD domains from experimental PDB structures interacting with ligand 0NT
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P23458n/a0NT4e5we4e5wA2A:853-1154
P23458n/a0NT4e5we4e5wB2B:865-1153