Reaction Details Report a problem with these data
Target
Sulfotransferase 1E1
Ligand
BDBM50102700
Substrate
n/a
Meas. Tech.
ChEMBL_67847 (CHEMBL681339)
IC50
>200000±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:
BDBM50102700
Synonyms:
2-[6-(Cyclohexylmethyl-amino)-2-(4-nitro-benzylamino)-purin-9-yl]-ethanol(NG20) | CHEMBL91450
Type:
Small organic molecule
Emp. Form.:
C21H27N7O3
Mol. Mass.:
425.4842
SMILES:
OCCn1cnc2c(NCC3CCCCC3)nc(NCc3ccc(cc3)[N+]([O-])=O)nc12
Structure:
Search PDB for entries with ligand similarity: