Reaction Details Report a problem with these data
Target
Eukaryotic translation initiation factor 2-alpha kinase 3
Ligand
BDBM46494
Substrate
n/a
Meas. Tech.
Counterscreen assay for PERK inhibitors: Dose response cell-based high throughput screening assay to measure inhibition of PERK at 6 hours
EC50
>55700±n/a nM
Citation
 PubChem, PC Counterscreen assay for PERK inhibitors: Dose response cell-based high throughput screening assay to measure inhibition of PERK at 6 hours PubChem Bioassay (2009)[AID] 
Target
Name:
Eukaryotic translation initiation factor 2-alpha kinase 3
Synonyms:
E2AK3_HUMAN | EIF2AK3 | HsPEK | PEK | PERK | Pancreatic eIF2-alpha kinase | Pancreatic endoplasmic reticulum kinase (PERK)
Type:
Enzyme
Mol. Mass.:
125190.66
Organism:
Homo sapiens (Human)
Description:
Q9NZJ5
Residue:
1116
Sequence:
MERAISPGLLVRALLLLLLLLGLAARTVAAGRARGLPAPTAEAAFGLGAAAAPTSATRVPAAGAVAAAEVTVEDAEALPAAAGEQEPRGPEPDDETELRPRGRSLVIISTLDGRIAALDPENHGKKQWDLDVGSGSLVSSSLSKPEVFGNKMIIPSLDGALFQWDQDRESMETVPFTVESLLESSYKFGDDVVLVGGKSLTTYGLSAYSGKVRYICSALGCRQWDSDEMEQEEDILLLQRTQKTVRAVGPRSGNEKWNFSVGHFELRYIPDMETRAGFIESTFKPNENTEESKIISDVEEQEAAIMDIVIKVSVADWKVMAFSKKGGHLEWEYQFCTPIASAWLLKDGKVIPISLFDDTSYTSNDDVLEDEEDIVEAARGATENSVYLGMYRGQLYLQSSVRISEKFPSSPKALESVTNENAIIPLPTIKWKPLIHSPSRTPVLVGSDEFDKCLSNDKFSHEEYSNGALSILQYPYDNGYYLPYYKRERNKRSTQITVRFLDNPHYNKNIRKKDPVLLLHWWKEIVATILFCIIATTFIVRRLFHPHPHRQRKESETQCQTENKYDSVSGEANDSSWNDIKNSGYISRYLTDFEPIQCLGRGGFGVVFEAKNKVDDCNYAIKRIRLPNRELAREKVMREVKALAKLEHPGIVRYFNAWLEAPPEKWQEKMDEIWLKDESTDWPLSSPSPMDAPSVKIRRMDPFATKEHIEIIAPSPQRSRSFSVGISCDQTSSSESQFSPLEFSGMDHEDISESVDAAYNLQDSCLTDCDVEDGTMDGNDEGHSFELCPSEASPYVRSRERTSSSIVFEDSGCDNASSKEEPKTNRLHIGNHCANKLTAFKPTSSKSSSEATLSISPPRPTTLSLDLTKNTTEKLQPSSPKVYLYIQMQLCRKENLKDWMNGRCTIEERERSVCLHIFLQIAEAVEFLHSKGLMHRDLKPSNIFFTMDDVVKVGDFGLVTAMDQDEEEQTVLTPMPAYARHTGQVGTKLYMSPEQIHGNSYSHKVDIFSLGLILFELLYPFSTQMERVRTLTDVRNLKFPPLFTQKYPCEYVMVQDMLSPSPMERPEAINIIENAVFEDLDFPGKTVLRQRSRSLSSSGTKHSRQSNNSHSPLPSN
  
Inhibitor
Name:
BDBM46494
Synonyms:
(6Z)-5-azanylidene-6-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-6-[[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-6-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-3-mesyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-6-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | (6Z)-6-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-3-(methylsulfonyl)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one | MLS000730739 | SMR000309114 | cid_16194322
Type:
Small organic molecule
Emp. Form.:
C19H16FN5O3S2
Mol. Mass.:
445.49
SMILES:
Cc1cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c(C)n1-c1ccccc1F |c:11,17,(7.82,-3.33,;8.44,-1.92,;9.95,-1.6,;10.11,-.07,;11.45,.7,;12.78,-.07,;14.11,.7,;14.11,2.24,;15.45,-.07,;15.45,-1.61,;16.9,-2.08,;17.8,-.84,;16.9,.4,;17.38,1.86,;17.86,3.33,;18.85,1.39,;15.92,2.34,;14.11,-2.38,;12.78,-1.61,;11.45,-2.38,;8.71,.56,;8.39,2.06,;7.67,-.59,;6.14,-.43,;5.52,.98,;3.99,1.14,;3.08,-.1,;3.71,-1.51,;5.24,-1.67,;5.86,-3.08,)|
Structure:
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