DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Branched-chain alpha-ketoacid dehydrogenase kinase
Ligand Name
(2P)-2-[(4P)-4-{6-[(1-ethylcyclopropyl)methoxy]pyridin-3-yl}-1,3-thiazol-2-yl]benzoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NMOXDKZFTLXESP-UHFFFAOYSA-N
SMILES
CCC1(CC1)COc2ccc(cn2)c3csc(n3)c4ccccc4C(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 8F5F
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Color Legend
Unassigned regionsLigand / hetero atomse8f5fA1e8f5fA2e8f5fB1e8f5fB2
ECOD domains from experimental PDB structures interacting with ligand XGG
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
O14874n/aXGG8f5fe8f5fA1A:24-185
O14874n/aXGG8f5fe8f5fA2A:186-306,A:332-374
O14874n/aXGG8f5fe8f5fB1B:22-185
O14874n/aXGG8f5fe8f5fB2B:186-306,B:336-374