17β-estradiol
SMILES | Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C |
InChIKey | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 0 |
Molecular weight (Da) | 272.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Endogenous |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT2 | AGTR2 | Human | Angiotensin | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
AT2 | AGTR2 | Human | Angiotensin | A | pKi | 8.01 | 9.02 | 9.4 | ChEMBL |
AT1 | AGTR1 | Human | Angiotensin | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
AT1 | AGTR1 | Pig | Angiotensin | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT2 | AGTR2 | Human | Angiotensin | A | pEC50 | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
AT2 | AGTR2 | Rat | Angiotensin | A | pEC50 | 5.6 | 5.7 | 5.8 | Guide to Pharmacology |