Attributes
UniProt ID
Protein Name
Nickel-binding periplasmic protein
Ligand Name
2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CCWNBVUPGJNFLR-UHFFFAOYSA-N
SMILES
CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=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: 5ON1
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Color Legend
Unassigned regionsLigand / hetero atomse5on1A1e5on1A2e5on1A3e5on1B1e5on1B2e5on1B3
ECOD domains from experimental PDB structures interacting with ligand 9YK
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P33590 | n/a | 9YK | 5on1 | e5on1A1 | A:20-140 |
| P33590 | n/a | 9YK | 5on1 | e5on1A2 | A:2-19,A:141-245,A:471-499 |
| P33590 | n/a | 9YK | 5on1 | e5on1A3 | A:246-470 |
| P33590 | n/a | 9YK | 5on1 | e5on1B1 | B:3-19,B:141-245,B:471-500 |
| P33590 | n/a | 9YK | 5on1 | e5on1B2 | B:246-470 |
| P33590 | n/a | 9YK | 5on1 | e5on1B3 | B:20-140 |
| P33590 | n/a | 9YK | 5on4 | e5on4A1 | A:20-140 |
| P33590 | n/a | 9YK | 5on4 | e5on4A2 | A:246-470 |
| P33590 | n/a | 9YK | 5on4 | e5on4A3 | A:2-19,A:141-245,A:471-499 |
| P33590 | n/a | 9YK | 5on4 | e5on4B1 | B:246-470 |
| P33590 | n/a | 9YK | 5on4 | e5on4B2 | B:2-19,B:141-245,B:471-499 |
| P33590 | n/a | 9YK | 5on4 | e5on4B3 | B:20-140 |