Attributes
UniProt ID
Protein Name
Aristolochene synthase
Ligand Name
(1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XJMHVRNRJICXTC-MELADBBJSA-O
SMILES
CC1CCC[NH+]2C1(CC(CC2)C(=C)C)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4KVY
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Color Legend
Unassigned regionsLigand / hetero atomse4kvyA1e4kvyB1e4kvyC1e4kvyD1
ECOD domains from experimental PDB structures interacting with ligand JF1
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q9UR08 | n/a | JF1 | 4kvy | e4kvyA1 | A:8-311 |
| Q9UR08 | n/a | JF1 | 4kvy | e4kvyB1 | B:8-311 |
| Q9UR08 | n/a | JF1 | 4kvy | e4kvyC1 | C:8-311 |
| Q9UR08 | n/a | JF1 | 4kvy | e4kvyD1 | D:8-311 |
| Q9UR08 | n/a | JF1 | 5imi | e5imiA1 | A:8-313 |
| Q9UR08 | n/a | JF1 | 5imi | e5imiB1 | B:7-312 |
| Q9UR08 | n/a | JF1 | 5imi | e5imiC1 | C:8-311 |
| Q9UR08 | n/a | JF1 | 5imi | e5imiD1 | D:8-313 |
| Q9UR08 | n/a | JF1 | 5imn | e5imnA1 | A:8-311 |
| Q9UR08 | n/a | JF1 | 5imn | e5imnB1 | B:8-311 |
| Q9UR08 | n/a | JF1 | 5imn | e5imnC1 | C:8-311 |
| Q9UR08 | n/a | JF1 | 5imn | e5imnD1 | D:8-311 |
| Q9UR08 | n/a | JF1 | 5imp | e5impA1 | A:8-311 |
| Q9UR08 | n/a | JF1 | 5imp | e5impB1 | B:8-311 |
| Q9UR08 | n/a | JF1 | 5imp | e5impC1 | C:8-311 |
| Q9UR08 | n/a | JF1 | 5imp | e5impD1 | D:8-311 |