Reaction Details Report a problem with these data
Target
Protein RecA
Ligand
BDBM70391
Substrate
n/a
Meas. Tech.
Fluorescence Cell-Free Homogeneous Counter Screen to Identify Inhibitors of GFP Chromophore Formation
EC50
20380±n/a nM
Citation
 PubChem, PC Fluorescence Cell-Free Homogeneous Counter Screen to Identify Inhibitors of GFP Chromophore Formation PubChem Bioassay (2010)[AID] 
Target
Name:
Protein RecA
Synonyms:
DNA recombination protein RecA | RECA_MYCTU | recA
Type:
Enzyme Catalytic Domain
Mol. Mass.:
85386.52
Organism:
Mycobacterium tuberculosis H37Rv
Description:
gi_15609874
Residue:
790
Sequence:
MTQTPDREKALELAVAQIEKSYGKGSVMRLGDEARQPISVIPTGSIALDVALGIGGLPRGRVIEIYGPESSGKTTVALHAVANAQAAGGVAAFIDAEHALDPDYAKKLGVDTDSLLVSQPDTGEQALEIADMLIRSGALDIVVIDSVAALVPRAELEGEMGDSHVGLQARLMSQALRKMTGALNNSGTTAIFINQLRDKIGVMFGSPETTTGGKALKFYASVRMDVRRVETLKDGTNAVGNRTRVKVVKNKCLAEGTRIFDPVTGTTHRIEDVVDGRKPIHVVAAAKDGTLHARPVVSWFDQGTRDVIGLRIAGGAIVWATPDHKVLTEYGWRAAGELRKGDRVAQPRRFDGFGDSAPIPADHARLLGYLIGDGRDGWVGGKTPINFINVQRALIDDVTRIAATLGCAAHPQGRISLAIAHRPGERNGVADLCQQAGIYGKLAWEKTIPNWFFEPDIAADIVGNLLFGLFESDGWVSREQTGALRVGYTTTSEQLAHQIHWLLLRFGVGSTVRDYDPTQKRPSIVNGRRIQSKRQVFEVRISGMDNVTAFAESVPMWGPRGAALIQAIPEATQGRRRGSQATYLAAEMTDAVLNYLDERGVTAQEAAAMIGVASGDPRGGMKQVLGASRLRRDRVQALADALDDKFLHDMLAEELRYSVIREVLPTRRARTFDLEVEELHTLVAEGVVVHNCSPPFKQAEFDILYGKGISREGSLIDMGVDQGLIRKSGAWFTYEGEQLGQGKENARNFLVENADVADEIEKKIKEKLGIGAVVTDDPSNDGVLPAPVDF
  
Inhibitor
Name:
BDBM70391
Synonyms:
5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester | 5-cyano-6-[(5-keto-3-pyrazolin-3-yl)methylthio]-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester | MLS000050688 | SMR000078151 | cid_2961964 | ethyl 5-cyano-2-methyl-6-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate | ethyl 5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate | ethyl 5-cyano-6-{[(5-hydroxy-1H-pyrazol-3-yl)methyl]thio}-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
Type:
Small organic molecule
Emp. Form.:
C18H18N4O3S2
Mol. Mass.:
402.491
SMILES:
CCOC(=O)C1=C(C)N=C(SCc2cc(=O)[nH][nH]2)C(C#N)C1c1cccs1 |c:5,t:8|
Structure:
Search PDB for entries with ligand similarity: