PDB ligand accession: CTX
DrugBank: DB00675
PubChem:
ChEMBL:
InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N
SMILES: CCC(=C(c1ccccc1)c2ccc(cc2)OCCN(C)C)c3ccccc3
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Stilbenes
- Subclass: None
- Class: Stilbenes
- Superclass: Phenylpropanoids and polyketides
# | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
---|---|---|---|---|---|
1 | Q92731_CTX | Q92731 | Estrogen receptor beta | antagonist | Ki(nM) = 0.51 IC50(nM) = 5.0 EC50(nM) = 1000.0 |
2 | Q15125_CTX | Q15125 | 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (EC 5.3.3.5) | inhibitor | Ki(nM) = 5.0 IC50(nM) = 12.0 |
3 | A0L5S6_CTX | A0L5S6 | Ion transport protein | n/a | |
4 | P62508_CTX | P62508 | Estrogen-related receptor gamma | n/a | IC50(nM) = 62.0 |
5 | P04278_CTX | P04278 | Sex hormone-binding globulin | inducer | |
6 | P45983_CTX | P45983 | Mitogen-activated protein kinase | modulator | |
7 | Q12809_CTX | Q12809 | Voltage-gated inwardly rectifying | inhibitor | IC50(nM) = 1584.89 |
8 | P03372_CTX | P03372 | Estrogen receptor (ER) | antagonist | Ki(nM) = 12.0 IC50(nM) = 1.5 EC50(nM) = 622.0 |
9 | P10275_CTX | P10275 | Androgen receptor (Dihydrotestosterone | n/a | |
10 | O75469_CTX | O75469 | Nuclear receptor subfamily | n/a | |
11 | P23141_CTX | P23141 | Liver carboxylesterase 1 | n/a |