Attributes
UniProt ID
Protein Name
Aryl hydrocarbon receptor
Ligand Name
(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WMBWREPUVVBILR-WIYYLYMNSA-N
SMILES
c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: P35869_F1
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Color Legend
Unassigned regionsLigand / hetero atomsnD1nD2nD3
ECOD domains from AlphaFold model interacting with ligand DB12116
| UniProt | DrugBank | PDB Ligand | ECOD Domain | Range Definition |
|---|---|---|---|---|
| P35869 | DB12116 | KDH | nD1 | 26-80 |
| P35869 | DB12116 | KDH | nD2 | 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180, 211-275, 81-180,211-275 |
| P35869 | DB12116 | KDH | nD3 | 276-405 |