Attributes
UniProt ID
Protein Name
Caspase-3
Ligand Name
(4R)-2-METHYLPENTANE-2,4-DIOL
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SVTBMSDMJJWYQN-RXMQYKEDSA-N
SMILES
CC(CC(C)(C)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2XZD
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Color Legend
Unassigned regionsLigand / hetero atomse2xzd.1e2xzd.2e2xzdG1e2xzdH1
ECOD domains from experimental PDB structures interacting with ligand MRD
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P42574 | n/a | MRD | 2xzd | e2xzd.1 | A:34-174,B:184-277 |
| P42574 | n/a | MRD | 2xzd | e2xzd.2 | C:34-175,D:185-277 |
| P42574 | n/a | MRD | 2xzt | e2xzt.1 | A:34-174,B:184-277 |
| P42574 | n/a | MRD | 2xzt | e2xzt.2 | C:34-175,D:185-277 |
| P42574 | n/a | MRD | 2y0b | e2y0b.1 | A:34-174,B:184-277 |
| P42574 | n/a | MRD | 2y0b | e2y0b.2 | C:34-174,D:185-277 |
| P42574 | n/a | MRD | 4quh | e4quhA1 | A:34-276 |
| P42574 | n/a | MRD | 4quh | e4quhC1 | C:34-276 |