Attributes
UniProt ID
Protein Name
Carboxylesterase
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: 3AIK
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Color Legend
Unassigned regionsLigand / hetero atomse3aikA1e3aikB1e3aikC1e3aikD1
ECOD domains from experimental PDB structures interacting with ligand MRD
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q976W8 | n/a | MRD | 3aik | e3aikA1 | A:21-303 |
| Q976W8 | n/a | MRD | 3aik | e3aikB1 | B:21-303 |
| Q976W8 | n/a | MRD | 3aik | e3aikC1 | C:21-303 |
| Q976W8 | n/a | MRD | 3aik | e3aikD1 | D:21-303 |
| Q976W8 | n/a | MRD | 3ail | e3ailA1 | A:21-303 |
| Q976W8 | n/a | MRD | 3ail | e3ailB1 | B:21-303 |
| Q976W8 | n/a | MRD | 3ail | e3ailC1 | C:21-303 |
| Q976W8 | n/a | MRD | 3ail | e3ailD1 | D:21-303 |
| Q976W8 | n/a | MRD | 3aim | e3aimA1 | A:21-303 |
| Q976W8 | n/a | MRD | 3aim | e3aimB1 | B:21-303 |
| Q976W8 | n/a | MRD | 3aim | e3aimC1 | C:21-303 |
| Q976W8 | n/a | MRD | 3aim | e3aimD1 | D:21-303 |
| Q976W8 | n/a | MRD | 3ain | e3ainB1 | B:21-303 |
| Q976W8 | n/a | MRD | 3ain | e3ainC1 | C:21-303 |
| Q976W8 | n/a | MRD | 3ain | e3ainD1 | D:21-303 |
| Q976W8 | n/a | MRD | 3aio | e3aioB1 | B:21-303 |
| Q976W8 | n/a | MRD | 3aio | e3aioC1 | C:21-303 |
| Q976W8 | n/a | MRD | 3aio | e3aioD1 | D:21-303 |