DrugDomain logoDrugDomain

Attributes

UniProt ID
P00338
Protein Name
L-lactate dehydrogenase A chain
Ligand Name
(5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one
DrugBank ID
None
PDB Ligand Accession
W13
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CJPAFXZVJQAZMQ-CYBMUJFWSA-N
SMILES
c1ccc(c(c1)SC2=C(CC(CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 4R69
Open File
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 atomse4r69A1e4r69A2e4r69B1e4r69B2e4r69C1e4r69C2e4r69D1e4r69D2
ECOD domains from experimental PDB structures interacting with ligand W13
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00338n/aW134r69e4r69A1A:1-153
P00338n/aW134r69e4r69A2A:160-331
P00338n/aW134r69e4r69B1B:1-153
P00338n/aW134r69e4r69B2B:160-331
P00338n/aW134r69e4r69C1C:1-153
P00338n/aW134r69e4r69C2C:160-331
P00338n/aW134r69e4r69D1D:1-153
P00338n/aW134r69e4r69D2D:160-331