Attributes
UniProt ID
Protein Name
Adenosylhomocysteinase
Ligand Name
4-[(2,5-dioxo-2,5-dihydro-1H-imidazol-1-yl)methyl]-N-[2-(morpholin-4-yl)-1,3-benzothiazol-6-yl]benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DIGDPYANABPQFC-UHFFFAOYSA-N
SMILES
c1cc(ccc1CN2C(=O)C=NC2=O)C(=O)Nc3ccc4c(c3)sc(n4)N5CCOCC5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5W4B
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Color Legend
Unassigned regionsLigand / hetero atomse5w4bA1e5w4bA2e5w4bB1e5w4bB2e5w4bC1e5w4bC2e5w4bD1e5w4bD2e5w4bE1e5w4bE2e5w4bF1e5w4bF2
ECOD domains from experimental PDB structures interacting with ligand 9W4
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P23526 | n/a | 9W4 | 5w4b | e5w4bA1 | A:5-189,A:353-432 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bA2 | A:190-352 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bB1 | B:190-352 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bB2 | B:4-189,B:353-432 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bC1 | C:190-352 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bC2 | C:5-189,C:353-432 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bD1 | D:190-352 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bD2 | D:4-189,D:353-432 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bE1 | E:190-352 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bE2 | E:5-189,E:353-432 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bF1 | F:190-352 |
| P23526 | n/a | 9W4 | 5w4b | e5w4bF2 | F:5-189,F:353-432 |