Attributes
UniProt ID
Protein Name
Multidrug efflux pump subunit AcrB
Ligand Name
6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PJMAUCHUUURBGI-UHFFFAOYSA-N
SMILES
CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)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: 5ENP
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Color Legend
Unassigned regionsLigand / hetero atomse5enpA1e5enpA2e5enpA3e5enpA4e5enpA5e5enpA6e5enpB1e5enpB2e5enpB3e5enpB4e5enpB5e5enpB6e5enpC1e5enpC2e5enpC3e5enpC4e5enpC5e5enpC6e5enpD1e5enpE1e5enpF1
ECOD domains from experimental PDB structures interacting with ligand 5QF
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P31224 | n/a | 5QF | 5enp | e5enpC1 | C:567-673 |
| P31224 | n/a | 5QF | 5enp | e5enpC5 | C:135-181,C:274-329 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5J1 | J:567-673 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5J2 | J:135-181,J:274-330 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5J5 | J:38-134 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5K2 | K:135-181,K:274-330 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5K4 | K:567-673 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5K6 | K:38-134 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5L3 | L:567-673 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5L6 | L:38-134 |
| P31224 | n/a | 5QF | 5ng5 | e5ng5L8 | L:135-181,L:274-330 |