Attributes
UniProt ID
Protein Name
Multidrug efflux pump subunit AcrB
Ligand Name
DOXORUBICIN
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AOJJSUZBOXZQNB-TZSSRYMLSA-N
SMILES
CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2DR6
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Color Legend
Unassigned regionsLigand / hetero atomse2dr6A10e2dr6A11e2dr6A12e2dr6A13e2dr6A14e2dr6A15e2dr6A7e2dr6A9e2dr6B10e2dr6B11e2dr6B12e2dr6B13e2dr6B14e2dr6B15e2dr6B7e2dr6B9e2dr6C1e2dr6C11e2dr6C12e2dr6C13e2dr6C15e2dr6C3e2dr6C7e2dr6C9
ECOD domains from experimental PDB structures interacting with ligand DB00997
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P31224 | DB00997 | DM2 | 2dr6 | e2dr6A12 | A:38-134 |
| P31224 | DB00997 | DM2 | 2dr6 | e2dr6A13 | A:553-659 |
| P31224 | DB00997 | DM2 | 2dr6 | e2dr6A15 | A:135-181,A:274-330 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7A10 | A:505-566,A:864-1042 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7A11 | A:38-134 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7A12 | A:674-725,A:812-863 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7A14 | A:135-181,A:274-330 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7A2 | A:567-673 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7B12 | B:38-134 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7B13 | B:553-659 |
| P31224 | DB00997 | DM2 | 4dx7 | e4dx7B15 | B:135-181,B:274-330 |