Attributes
UniProt ID
Protein Name
Retinaldehyde dehydrogenase 3
Ligand Name
methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DCSWTUKGGUNNLU-UHFFFAOYSA-N
SMILES
COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c4ccc5c(c4)OCO5
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6TGW
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Color Legend
Unassigned regionsLigand / hetero atomse6tgwA1e6tgwA2e6tgwB1e6tgwB2e6tgwC1e6tgwC2e6tgwD1e6tgwD2
ECOD domains from experimental PDB structures interacting with ligand N98
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P47895 | n/a | N98 | 6tgw | e6tgwA1 | A:283-507 |
| P47895 | n/a | N98 | 6tgw | e6tgwA2 | A:27-282 |
| P47895 | n/a | N98 | 6tgw | e6tgwB1 | B:283-507 |
| P47895 | n/a | N98 | 6tgw | e6tgwB2 | B:27-282 |
| P47895 | n/a | N98 | 6tgw | e6tgwC1 | C:283-507 |
| P47895 | n/a | N98 | 6tgw | e6tgwC2 | C:29-282 |
| P47895 | n/a | N98 | 6tgw | e6tgwD1 | D:283-507 |
| P47895 | n/a | N98 | 6tgw | e6tgwD2 | D:29-282 |