Attributes
UniProt ID
Protein Name
Retinal dehydrogenase 2
Ligand Name
(3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LAYJOGOQGVGOCO-UHFFFAOYSA-N
SMILES
CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-]
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6B5G
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Color Legend
Unassigned regionsLigand / hetero atomse6b5gA1e6b5gA2e6b5gB1e6b5gB2e6b5gC1e6b5gC2e6b5gD1e6b5gD2
ECOD domains from experimental PDB structures interacting with ligand CQY
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| O94788 | n/a | CQY | 6b5g | e6b5gA1 | A:289-518 |
| O94788 | n/a | CQY | 6b5g | e6b5gA2 | A:27-288 |
| O94788 | n/a | CQY | 6b5g | e6b5gB1 | B:27-288 |
| O94788 | n/a | CQY | 6b5g | e6b5gB2 | B:289-518 |
| O94788 | n/a | CQY | 6b5g | e6b5gC1 | C:27-288 |
| O94788 | n/a | CQY | 6b5g | e6b5gC2 | C:289-518 |
| O94788 | n/a | CQY | 6b5g | e6b5gD1 | D:27-288 |
| O94788 | n/a | CQY | 6b5g | e6b5gD2 | D:289-518 |