Attributes
UniProt ID
Protein Name
Maltose/maltodextrin-binding periplasmic protein
Ligand Name
4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BDINUPBROUJUMH-UHFFFAOYSA-N
SMILES
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6DM8
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Color Legend
Unassigned regionsLigand / hetero atomse6dm8A1e6dm8A2e6dm8A3e6dm8B1e6dm8B2e6dm8B3e6dm8C1e6dm8C2e6dm8C3e6dm8D1e6dm8D2e6dm8D3e6dm8E1e6dm8E2e6dm8E3e6dm8F1e6dm8F2e6dm8F3e6dm8G1e6dm8G2e6dm8G3e6dm8H1e6dm8H2e6dm8H3
ECOD domains from experimental PDB structures interacting with ligand 6AK
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8A2 | A:-215--104,A:41-153 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8A3 | A:154-301 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8B2 | B:154-301 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8C2 | C:154-302 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8D1 | D:154-301 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8D2 | D:-103-40 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8D3 | D:-214--104,D:41-153 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8E1 | E:-215--104,E:41-153 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8F2 | F:-214--104,F:41-153 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8G1 | G:154-301 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8G2 | G:-214--104,G:41-153 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8G3 | G:-103-40 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8H1 | H:-214--103,H:41-153 |
| P0AEX9 | n/a | 6AK | 6dm8 | e6dm8H2 | H:-102-40 |