Attributes
UniProt ID
Protein Name
3-oxoacyl- synthase 1
Ligand Name
N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HNUNEXIROQFTBE-NRFANRHFSA-N
SMILES
CCCCCCCCCCCC(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6OKC
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Color Legend
Unassigned regionsLigand / hetero atomse6okcA1e6okcA2e6okcB1e6okcB2e6okcC1e6okcD1
ECOD domains from experimental PDB structures interacting with ligand MRJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0A953 | n/a | MRJ | 6okc | e6okcA1 | A:1-253 |
| P0A953 | n/a | MRJ | 6okc | e6okcA2 | A:254-404 |
| P0A953 | n/a | MRJ | 6okc | e6okcB1 | B:1-253 |
| P0A953 | n/a | MRJ | 6okc | e6okcB2 | B:254-404 |
| P0A953 | n/a | MRJ | 6okf | e6okfA1 | A:254-405 |
| P0A953 | n/a | MRJ | 6okf | e6okfA2 | A:2-253 |
| P0A953 | n/a | MRJ | 6okf | e6okfB1 | B:2-253 |
| P0A953 | n/a | MRJ | 6okf | e6okfB2 | B:254-405 |