Attributes
UniProt ID
Protein Name
Multidrug efflux pump subunit AcrB
Ligand Name
3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CITLGGQQUFMBKB-UHFFFAOYSA-N
SMILES
CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5ENO
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Color Legend
Unassigned regionsLigand / hetero atomse5enoA1e5enoA2e5enoA3e5enoA4e5enoA5e5enoA6e5enoB1e5enoB2e5enoB3e5enoB4e5enoB5e5enoB6e5enoC1e5enoC2e5enoC3e5enoC4e5enoC5e5enoC6e5enoD1e5enoE1e5enoF1