Reaction Details Report a problem with these data
Target
Xylosyl- and glucuronyltransferase LARGE1
Ligand
BDBM94729
Substrate
n/a
EC50
>80000±n/a nM
Citation
 PubChem, PC Dose response confirmation of small molecule activators of alpha dystroglycan glycosylation PubChem Bioassay (2012)[AID] 
Target
Name:
Xylosyl- and glucuronyltransferase LARGE1
Synonyms:
KIAA0609 | LARG1_HUMAN | LARGE | LARGE1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
88079.63
Organism:
Homo sapiens (Human)
Description:
gi_47678551
Residue:
756
Sequence:
MLGICRGRRKFLAASLSLLCIPAITWIYLFSGSFEDGKPVSLSPLESQAHSPRYTASSQRERESLEVRMREVEEENRALRRQLSLAQGRAPSHRRGNHSKTYSMEEGTGDSENLRAGIVAGNSSECGQQPVVEKCETIHVAIVCAGYNASRDVVTLVKSVLFHRRNPLHFHLIADSIAEQILATLFQTWMVPAVRVDFYNADELKSEVSWIPNKHYSGIYGLMKLVLTKTLPANLERVIVLDTDITFATDIAELWAVFHKFKGQQVLGLVENQSDWYLGNLWKNHRPWPALGRGYNTGVILLLLDKLRKMKWEQMWRLTAERELMGMLSTSLADQDIFNAVIKQNPFLVYQLPCFWNVQLSDHTRSEQCYRDVSDLKVIHWNSPKKLRVKNKHVEFFRNLYLTFLEYDGNLLRRELFGCPSEADVNSENLQKQLSELDEDDLCYEFRRERFTVHRTHLYFLHYEYEPAADSTDVTLVAQLSMDRLQMLEAICKHWEGPISLALYLSDAEAQQFLRYAQGSEVLMSRHNVGYHIVYKEGQFYPVNLLRNVAMKHISTPYMFLSDIDFLPMYGLYEYLRKSVIQLDLANTKKAMIVPAFETLRYRLSFPKSKAELLSMLDMGTLFTFRYHVWTKGHAPTNFAKWRTATTPYRVEWEADFEPYVVVRRDCPEYDRRFVGFGWNKVAHIMELDVQEYEFIVLPNAYMIHMPHAPSFDITKFRSNKQYRICLKTLKEEFQQDMSRRYGFAALKYLTAENNS
  
Inhibitor
Name:
BDBM94729
Synonyms:
1-[3-[(1-benzyl-4-piperidyl)amino]-3-keto-propyl]-5-(4-fluorophenyl)-2-methyl-pyrrole-3-carboxylic acid ethyl ester | 5-(4-fluorophenyl)-2-methyl-1-[3-oxo-3-[[1-(phenylmethyl)-4-piperidinyl]amino]propyl]-3-pyrrolecarboxylic acid ethyl ester | MLS000682730 | SMR000312087 | cid_16194209 | ethyl 1-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxylate | ethyl 1-{3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate | ethyl 5-(4-fluorophenyl)-2-methyl-1-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-4-yl]amino]propyl]pyrrole-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C29H34FN3O3
Mol. Mass.:
491.597
SMILES:
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NC2CCN(Cc3ccccc3)CC2)c1C
Structure:
Search PDB for entries with ligand similarity: