Reaction Details Report a problem with these data
Target
Sulfotransferase 1A1
Ligand
BDBM17292
Substrate
n/a
Meas. Tech.
ChEMBL_1484210 (CHEMBL3537871)
Kd
2300±n/a nM
Citation
 Rohn, KJ; Cook, IT; Leyh, TS; Kadlubar, SA; Falany, 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:
BDBM17292
Synonyms:
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 17 beta-Estradiol | 17α-ethinylestradiol | 17beta-estradiol (E2) | CHEMBL135 | CS336 | ESTRADIOL | Estradiol-17 alpha | Ovocyclin | US9034854, E2 | US9040509, E2 | US9422324, E2 | US9561238, E2 | [2,4,6,7-3H]-17beta-estradiol | [2,4,6,7-3H]-E2 | [3H]-estradiol | [3H]]estradiol
Type:
Steroid
Emp. Form.:
C18H24O2
Mol. Mass.:
272.382
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Structure:
Search PDB for entries with ligand similarity: