Reaction Details Report a problem with these data
Target
Orotidine 5'-phosphate decarboxylase
Ligand
BDBM83830
Substrate
n/a
Meas. Tech.
Luminescence-based cell-based high throughput dose response assay for activators of the GAA850 frataxin (FXN) promoter
EC50
>59643±n/a nM
Citation
 PubChem, PC Luminescence-based cell-based high throughput dose response assay for activators of the GAA850 frataxin (FXN) promoter PubChem Bioassay (2011)[AID] 
Target
Name:
Orotidine 5'-phosphate decarboxylase
Synonyms:
FXN frataxin | PYRF_ASPNG | pyrA | pyrG
Type:
Enzyme Catalytic Domain
Mol. Mass.:
30195.13
Organism:
Aspergillus niger
Description:
gi_2395
Residue:
277
Sequence:
MSSKSQLTYTARASKHPNALAKRLFEIAEAKKTNVTVSADVTTTKELLDLADRLGPYIAVIKTHIDILSDFSDETIEGLKALAQKHNFLIFEDRKFIDIGNTVQKQYHRGTLRISEWAHIINCSILPGEGIVEALAQTASAPDFSYGPERGLLILAEMTSKGSLATGQYTTSSVDYARKYKNFVMGFVSTRSLGEVQSEVSSPSDEEDFVVFTTGVNISSKGDKLGQQYQTPASAIGRGADFIIAGRGIYAAPDPVQAAQQYQKEGWEAYLARVGGN
  
Inhibitor
Name:
BDBM83830
Synonyms:
(1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid | (1S,3R,3aS,6aR)-5-benzyl-3-ethyl-1-[[ethyl(tosyl)amino]methyl]-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid | MLS002477022 | SMR001398945 | cid_44246821 | methyl (1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-methylphenyl)sulfonyl-amino]methyl]-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-tris(fluoranyl)ethanoic acid | methyl (1S,3R,3aS,6aR)-5-benzyl-3-ethyl-1-[[ethyl-(4-methylphenyl)sulfonylamino]methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
Type:
Small organic molecule
Emp. Form.:
C27H33N3O6S
Mol. Mass.:
527.632
SMILES:
CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(Cc1ccccc1)C2=O)C(=O)OC)S(=O)(=O)c1ccc(C)cc1
Structure:
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