Reaction Details Report a problem with these data
Target
Sulfotransferase 1E1
Ligand
BDBM50553478
Substrate
n/a
Meas. Tech.
ChEMBL_2046646 (CHEMBL4701345)
IC50
19800±n/a nM
Citation
 Marco, JL Isolation, reactivity, pharmacological activities and total synthesis of hispanolone and structurally related diterpenes from Labiatae plants. Bioorg Med Chem Lett 30:0 (2020) [PubMed]  Article 
Target
Name:
Sulfotransferase 1E1
Synonyms:
Estrogen sulfotransferase | ST1E1_HUMAN | STE | SULT1E1
Type:
PROTEIN
Mol. Mass.:
35126.48
Organism:
Homo sapiens (Human)
Description:
ChEMBL_67842
Residue:
294
Sequence:
MNSELDYYEKFEEVHGILMYKDFVKYWDNVEAFQARPDDLVIATYPKSGTTWVSEIVYMIYKEGDVEKCKEDVIFNRIPFLECRKENLMNGVKQLDEMNSPRIVKTHLPPELLPASFWEKDCKIIYLCRNAKDVAVSFYYFFLMVAGHPNPGSFPEFVEKFMQGQVPYGSWYKHVKSWWEKGKSPRVLFLFYEDLKEDIRKEVIKLIHFLERKPSEELVDRIIHHTSFQEMKNNPSTNYTTLPDEIMNQKLSPFMRKGITGDWKNHFTVALNEKFDKHYEQQMKESTLKFRTEI
  
Inhibitor
Name:
BDBM50553478
Synonyms:
CHEMBL4753179
Type:
Small organic molecule
Emp. Form.:
C20H28O2
Mol. Mass.:
300.4351
SMILES:
[H][C@@]12CC(=O)C(C)=C(CCc3ccoc3)[C@@]1(C)CCCC2(C)C |r,t:6|
Structure:
Search PDB for entries with ligand similarity: