Attributes
UniProt ID
Protein Name
Nickel-binding periplasmic protein
Ligand Name
2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PIRBWSIWJQHRSO-UHFFFAOYSA-N
SMILES
c1ccc(c(c1)CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3MW0
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Color Legend
Unassigned regionsLigand / hetero atomse3mw0A1e3mw0A2e3mw0A3e3mw0B1e3mw0B2e3mw0B3
ECOD domains from experimental PDB structures interacting with ligand BHR
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P33590 | n/a | BHR | 3mw0 | e3mw0A1 | A:20-140 |
| P33590 | n/a | BHR | 3mw0 | e3mw0A2 | A:246-470 |
| P33590 | n/a | BHR | 3mw0 | e3mw0A3 | A:2-19,A:141-245,A:471-499 |
| P33590 | n/a | BHR | 3mw0 | e3mw0B1 | B:20-140 |
| P33590 | n/a | BHR | 3mw0 | e3mw0B2 | B:3-19,B:141-245,B:471-499 |
| P33590 | n/a | BHR | 3mw0 | e3mw0B3 | B:246-470 |
| P33590 | n/a | BHR | 3mzb | e3mzbA1 | A:20-140 |
| P33590 | n/a | BHR | 3mzb | e3mzbA2 | A:246-470 |
| P33590 | n/a | BHR | 3mzb | e3mzbA3 | A:2-19,A:141-245,A:471-499 |
| P33590 | n/a | BHR | 3mzb | e3mzbB1 | B:20-140 |
| P33590 | n/a | BHR | 3mzb | e3mzbB2 | B:246-470 |
| P33590 | n/a | BHR | 3mzb | e3mzbB3 | B:4-19,B:141-245,B:471-499 |