Target
Sulfotransferase 1A1
Ligand
BDBM50187243
Substrate
n/a
Meas. Tech.
ChEMBL_1484213 (CHEMBL3537874)
Ki
8.9±n/a nM
Citation
 Rohn, KJCook, ITLeyh, TSKadlubar, SAFalany, CN Potent inhibition of human sulfotransferase 1A1 by 17a-ethinylestradiol: role of 3'-phosphoadenosine 5'-phosphosulfate binding and structural rearrangements in regulating inhibition and activity. Drug Metab Dispos 40:1588-95 (2012) [PubMed]  Article 
Target
Name:
Sulfotransferase 1A1
Synonyms:
Aryl sulfotransferase 1 | HAST1/HAST2 | P-PST 1 | Phenol sulfotransferase 1 | Phenol-sulfating phenol sulfotransferase 1 | ST1A1 | ST1A1_HUMAN | ST1A3 | STP | STP | STP1 | SULT1A1 | Sulfotransferase 1A1 | Sulfotransferase 1A1 (SULT1A1) | Thermostable phenol sulfotransferase | Ts-PST
Type:
Enzyme
Mol. Mass.:
34165.45
Organism:
Homo sapiens (Human)
Description:
P50225
Residue:
295
Sequence:
MELIQDTSRPPLEYVKGVPLIKYFAEALGPLQSFQARPDDLLISTYPKSGTTWVSQILDMIYQGGDLEKCHRAPIFMRVPFLEFKAPGIPSGMETLKDTPAPRLLKTHLPLALLPQTLLDQKVKVVYVARNAKDVAVSYYHFYHMAKVHPEPGTWDSFLEKFMVGEVSYGSWYQHVQEWWELSRTHPVLYLFYEDMKENPKREIQKILEFVGRSLPEETVDFVVQHTSFKEMKKNPMTNYTTVPQEFMDHSISPFMRKGMAGDWKTTFTVAQNERFDADYAEKMAGCSLSFRSEL
  
Inhibitor
Name:
BDBM50187243
Synonyms:
17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestradiol | 17-ethinylestradiol | 17alpha-Ethinyl estradiol | 17alpha-ethynylestra-1,3,5(10)-triene-3,17beta-diol | 17alpha-ethynylestradiol | CHEMBL691 | ETHINYL ESTRADIOL | Ethinylestradiol | Ethynyl estradiol | ethinyloestradiol
Type:
Small organic molecule
Emp. Form.:
C20H24O2
Mol. Mass.:
296.4034
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C |r|
Structure:
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