Attributes
UniProt ID
Protein Name
Cytochrome P450 2B6
Ligand Name
(2R,4S)-6-chloro-4-(cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IMPMOBJZWFZYGR-OTYXRUKQSA-N
SMILES
CC1Nc2ccc(cc2C(O1)(C#CC3CC3)C(F)(F)F)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5WBG
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Color Legend
Unassigned regionsLigand / hetero atomse5wbgA1e5wbgB1e5wbgC1e5wbgD1e5wbgE1e5wbgF1
ECOD domains from experimental PDB structures interacting with ligand 9ZJ