Reaction Details Report a problem with these data
Target
Protein RecA
Ligand
BDBM70347
Substrate
n/a
Meas. Tech.
Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity
EC50
1160±n/a nM
Citation
 PubChem, PC Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity 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:
BDBM70347
Synonyms:
6'-amino-1-benzyl-3'-isopropyl-1'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile | 6-amino-1'-(phenylmethyl)-3-propan-2-yl-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]carbonitrile | 6-amino-1'-benzyl-3-isopropyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile | 6-amino-1'-benzyl-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile | 6-azanyl-1'-(phenylmethyl)-3-propan-2-yl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile | MLS000045567 | SMR000027524 | cid_1044643
Type:
Small organic molecule
Emp. Form.:
C21H25N5O
Mol. Mass.:
363.4561
SMILES:
CC(C)c1[nH]nc2OC(=N)C(C#N)C3(CCN(Cc4ccccc4)CC3)c12
Structure:
Search PDB for entries with ligand similarity: