DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Tyrosine-protein phosphatase non-receptor type 1
Ligand Name
N-{1-[5-(1-CARBAMOYL-2-MERCAPTO-ETHYLCARBAMOYL)-PENTYLCARBAMOYL]-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYL}-3-{2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ACETYLAMINO}-SUCCINAMIC ACID
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JNKZDIBIDJQPGC-BOMBAVFCSA-N
SMILES
c1cc(ccc1CC(C(=O)NCCCCCC(=O)NC(CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 1PXH
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 atomse1pxhA1
ECOD domains from experimental PDB structures interacting with ligand DB03557
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P18031DB03557SNA1pxhe1pxhA1A:2-298