Reaction Details Report a problem with these data
Target
Orotidine 5'-phosphate decarboxylase
Ligand
BDBM67847
Substrate
n/a
Meas. Tech.
Luminescence-based cell-based high throughput dose response assay for activators of the GAA850 frataxin (FXN) promoter
EC50
>59630±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:
BDBM67847
Synonyms:
4-(4-Chloro-phenyl)-5-cyano-2-methyl-6-(thiazol-2-ylcarbamoylmethylsulfanyl)-1,4-dihydro-pyridine-3-ca rboxylic acid allyl ester | 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester | 4-(4-chlorophenyl)-5-cyano-6-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid allyl ester | MLS000555475 | SMR000147192 | cid_3409527 | prop-2-enyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate | prop-2-enyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H19ClN4O3S2
Mol. Mass.:
486.994
SMILES:
CC1=C(C(C(C#N)C(SCC(=O)Nc2nccs2)=N1)c1ccc(Cl)cc1)C(=O)OCC=C |c:18,t:1|
Structure:
Search PDB for entries with ligand similarity: