Reaction Details Report a problem with these data
Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM50426014
Substrate
n/a
Meas. Tech.
ChEMBL_1452448 (CHEMBL3362472)
Ki
500±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:
BDBM50426014
Synonyms:
CHEMBL2315283
Type:
Small organic molecule
Emp. Form.:
C23H21N3O3
Mol. Mass.:
387.4311
SMILES:
Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O
Structure:
Search PDB for entries with ligand similarity: