DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
O-methyltransferase lepI
Ligand Name
(1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BELTVPCRHYWOEN-HPLJPIIASA-N
SMILES
CC1CCCC2C1C3(C(C=C2)C)C(=O)C(=CNC3=O)c4ccccc4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 6IX8
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Color Legend
Unassigned regionsLigand / hetero atomse6ix8A1e6ix8A2e6ix8B1e6ix8B2
ECOD domains from experimental PDB structures interacting with ligand B3O
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
B8NJH3n/aB3O6ix8e6ix8A1A:-1-129
B8NJH3n/aB3O6ix8e6ix8A2A:130-387
B8NJH3n/aB3O6ix8e6ix8B1B:130-387
B8NJH3n/aB3O6ix8e6ix8B2B:-1-129