Reaction Details Report a problem with these data
Target
UDP-glucuronosyltransferase 1A1
Ligand
BDBM50241343
Substrate
β-estradiol
Meas. Tech.
UDP-glucuronosyltransferase Activity Assay
IC50
5.6e+4± 7e+3 nM
Citation
 Liu, Y; She, M; Wu, Z; Dai, R The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors. J Enzyme Inhib Med Chem 26:386-93 (2011) [PubMed]  Article 
Target
Name:
UDP-glucuronosyltransferase 1A1
Synonyms:
UGT-1A | UDPGT 1-1 | Bilirubin-specific UDPGT isozyme 1 | UDP-glucuronosyltransferase 1A1 | UGT1.1 | UDP-glucuronosyltransferase 1-1 | UDP-glucuronosyltransferase 1-A | UGT1*1 | UGT1A | UGT1-01 | hUG-BR1 | UD11_HUMAN | UGT1A1 | GNT1 | UGT1 | Uridine-5'-diphosphoglucuronosyltransferase 1A1
Type:
Enzyme
Mol. Mass.:
59604.34
Organism:
Human
Description:
P22309
Residue:
533
Sequence:
MAVESQGGRPLVLGLLLCVLGPVVSHAGKILLIPVDGSHWLSMLGAIQQLQQRGHEIVVLAPDASLYIRDGAFYTLKTYPVPFQREDVKESFVSLGHNVFENDSFLQRVIKTYKKIKKDSAMLLSGCSHLLHNKELMASLAESSFDVMLTDPFLPCSPIVAQYLSLPTVFFLHALPCSLEFEATQCPNPFSYVPRPLSSHSDHMTFLQRVKNMLIAFSQNFLCDVVYSPYATLASEFLQREVTVQDLLSSASVWLFRSDFVKDYPRPIMPNMVFVGGINCLHQNPLSQEFEAYINASGEHGIVVFSLGSMVSEIPEKKAMAIADALGKIPQTVLWRYTGTRPSNLANNTILVKWLPQNDLLGHPMTRAFITHAGSHGVYESICNGVPMVMMPLFGDQMDNAKRMETKGAGVTLNVLEMTSEDLENALKAVINDKSYKENIMRLSSLHKDRPVEPLDLAVFWVEFVMRHKGAPHLRPAAHDLTWYQYHSLDVIGFLLAVVLTVAFITFKCCAYGYRKCLGKKGRVKKAHKSKTH
  
Inhibitor
Name:
BDBM50241343
Synonyms:
H-168/68 | 5-methoxy-2-(2-(4-methoxy-3,5-dimethylpyridin-2-yl)ethylsulfinyl)-1H-benzo[d]imidazole | 2-(3-methoxy-2,4-dimethylbenzylsulfinyl)-6-methoxy-1H-benzo[d]imidazole | 5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole(omeprazole) | 5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole | cid_4594 | CHEMBL1503 | 5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole (omeprazole) | (RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl) methylsulfinyl)-1H-benzo[d]imidazole | (omeprazole)5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole | Prilosec | 6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl)-1H-benzo[d]imidazole | 5-Methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-benzoimidazole | OMEPRAZOLE | Omeprazole (OMP) | ESOMEPRAZOLE SODIUM
Type:
Small organic molecule
Emp. Form.:
C17H19N3O3S
Mol. Mass.:
345.11
SMILES:
COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM17292
Synonyms:
[2,4,6,7-3H]-17beta-estradiol | [3H]-estradiol | 17 beta-Estradiol | Ovocyclin | (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol | 17beta-estradiol (E2) | ESTRADIOL | Estradiol-17 alpha | CHEMBL135 | [3H]]estradiol | [2,4,6,7-3H]-E2 | US9034854, E2 | US9561238, E2 | US9040509, E2 | 17α-ethinylestradiol | CS336 | US9422324, E2
Type:
Steroid
Emp. Form.:
C18H24O2
Mol. Mass.:
272.18
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Structure:
Search PDB for entries with ligand similarity: