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Target
Sulfotransferase 1E1
Ligand
BDBM50102697
Substrate
n/a
Meas. Tech.
ChEMBL_67847 (CHEMBL681339)
IC50
500±n/a nM
Citation
 Verdugo, DE; Cancilla, MT; Ge, X; Gray, NS; Chang, YT; Schultz, PG; Negishi, M; Leary, JA; Bertozzi, CR Discovery of estrogen sulfotransferase inhibitors from a purine library screen. J Med Chem 44:2683-6 (2001) [PubMed]  Article 
Target
Name:
Sulfotransferase 1E1
Synonyms:
Est | Estrogen sulfotransferase | ST1E1_MOUSE | Ste | Sult1e1
Type:
PROTEIN
Mol. Mass.:
35591.32
Organism:
Mus musculus
Description:
ChEMBL_67847
Residue:
295
Sequence:
METSMPEYYEVFGEFRGVLMDKRFTKYWEDVEMFLARPDDLVIATYPKSGTTWISEVVYMIYKEGDVEKCKEDAIFNRIPYLECRNEDLINGIKQLKEKESPRIVKTHLPPKLLPASFWEKNCKMIYLCRNAKDVAVSYYYFLLMITSYPNPKSFSEFVEKFMQGQVPYGSWYDHVKAWWEKSKNSRVLFMFYEDMKEDIRREVVKLIEFLERKPSAELVDRIIQHTSFQEMKNNPSTNYTMMPEEMMNQKVSPFMRKGIIGDWKNHFPEALRERFDEHYKQQMKDCTVKFRMEL
  
Inhibitor
Name:
BDBM50102697
Synonyms:
(2-Azepan-1-yl-9-isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-amine | (2-Azepan-1-yl-9-isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-amine(NG38) | CHEMBL76784
Type:
Small organic molecule
Emp. Form.:
C22H30N6O
Mol. Mass.:
394.5132
SMILES:
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCCC2)cc1
Structure:
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