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Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM50100981
Substrate
n/a
Meas. Tech.
ChEMBL_1452429 (CHEMBL3362091)
IC50
2.0±n/a nM
Citation
 Mandapati, K; Gorla, SK; House, AL; McKenney, ES; Zhang, M; Rao, SN; Gollapalli, DR; Mann, BJ; Goldberg, JB; Cuny, GD; Glomski, IJ; Hedstrom, L Repurposing cryptosporidium inosine 5'-monophosphate dehydrogenase inhibitors as potential antibacterial agents. ACS Med Chem Lett 5:846-50 (2014) [PubMed]  Article 
Target
Name:
Inosine-5'-monophosphate dehydrogenase
Synonyms:
AB164_07585 | AB165_01610 | AB166_11280 | AB167_18060 | AB168_06335 | AB169_08740 | AB170_00090 | AB171_19425 | AB893_00065 | ABW01_29210 | ADT20_14595 | ADT21_00085 | BF27_2004 | guaB
Type:
PROTEIN
Mol. Mass.:
52375.32
Organism:
Bacillus anthracis
Description:
ChEMBL_109471
Residue:
487
Sequence:
MWESKFVKEGLTFDDVLLVPAKSDVLPREVSVKTVLSESLQLNIPLISAGMDTVTEADMAIAMARQGGLGIIHKNMSIEQQAEQVDKVKRSESGVISDPFFLTPEHQVYDAEHLMGKYRISGVPVVNNLDERKLVGIITNRDMRFIQDYSIKISDVMTKEQLITAPVGTTLSEAEKILQKYKIEKLPLVDNNGVLQGLITIKDIEKVIEFPNSAKDKQGRLLVGAAVGVTADAMTRIDALVKASVDAIVLDTAHGHSQGVIDKVKEVRAKYPSLNIIAGNVATAEATKALIEAGANVVKVGIGPGSICTTRVVAGVGVPQLTAVYDCATEARKHGIPVIADGGIKYSGDMVKALAAGAHVVMLGSMFAGVAESPGETEIYQGRQFKVYRGMGSVGAMEKGSKDRYFQEGNKKLVPEGIEGRVPYKGPLADTVHQLVGGLRAGMGYCGAQDLEFLRENAQFIRMSGAGLLESHPHHVQITKEAPNYSL
  
Inhibitor
Name:
BDBM50100981
Synonyms:
CHEMBL2178644
Type:
Small organic molecule
Emp. Form.:
C19H19ClF3N3O2
Mol. Mass.:
413.821
SMILES:
C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Structure:
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