DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Pyruvate dehydrogenase E1 component subunit alpha
Ligand Name
2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ORVRYSKZCUVOLA-SECBINFHSA-N
SMILES
Cc1c(sc(c1Cc2cnc(nc2N)C)C(C)O)CCOP(=O)(O)OP(=O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3DUF
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Color Legend
Unassigned regionsLigand / hetero atomse3dufA1e3dufB3e3dufB4e3dufC1e3dufD3e3dufD4e3dufE1e3dufF3e3dufF4e3dufG1e3dufH3e3dufH4e3dufI1e3dufJ1
ECOD domains from experimental PDB structures interacting with ligand R1T
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P21873n/aR1T3dufe3dufA1A:4-368
P21873n/aR1T3dufe3dufC1C:4-368
P21873n/aR1T3dufe3dufE1E:4-368
P21873n/aR1T3dufe3dufG1G:4-368