(1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
P08684 — Cytochrome P450 3A4
Attributes
UniProt ID
Protein Name
Cytochrome P450 3A4
Ligand Name
(1S,2S)-2-(2-{[3-(1H-benzimidazol-2-yl)propyl](methyl)amino}ethyl)-6-fluoro-1-(propan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl methoxyacetate
DrugBank ID
PDB Ligand Accession
ChEMBL ID
PubChem ID
InChIKey
HBNPJJILLOYFJU-VMPREFPWSA-N
SMILES
CC(C)C1c2ccc(cc2CCC1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F
Drug Action
no_target_action
Affinity Metrics
ki:280 nM
ic50:130 nM