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Target
Inosine-5'-monophosphate dehydrogenase
Ligand
BDBM50432798
Substrate
n/a
Meas. Tech.
ChEMBL_1755126 (CHEMBL4189886)
Ki
>50000±n/a nM
Citation
 Chacko, S; Boshoff, HIM; Singh, V; Ferraris, DM; Gollapalli, DR; Zhang, M; Lawson, AP; Pepi, MJ; Joachimiak, A; Rizzi, M; Mizrahi, V; Cuny, GD; Hedstrom, L Expanding Benzoxazole-Based Inosine 5'-Monophosphate Dehydrogenase (IMPDH) Inhibitor Structure-Activity As Potential Antituberculosis Agents. J Med Chem 61:4739-4756 (2018) [PubMed]  Article 
Target
Name:
Inosine-5'-monophosphate dehydrogenase
Synonyms:
1.1.1.205 | IMDH_MYCTU | IMP dehydrogenase | IMPD | IMPDH | IMPDH2 | guaB | guaB2
Type:
PROTEIN
Mol. Mass.:
54865.42
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_117831
Residue:
529
Sequence:
MSRGMSGLEDSSDLVVSPYVRMGGLTTDPVPTGGDDPHKVAMLGLTFDDVLLLPAASDVVPATADTSSQLTKKIRLKVPLVSSAMDTVTESRMAIAMARAGGMGVLHRNLPVAEQAGQVEMVKRSEAGMVTDPVTCRPDNTLAQVDALCARFRISGLPVVDDDGALVGIITNRDMRFEVDQSKQVAEVMTKAPLITAQEGVSASAALGLLRRNKIEKLPVVDGRGRLTGLITVKDFVKTEQHPLATKDSDGRLLVGAAVGVGGDAWVRAMMLVDAGVDVLVVDTAHAHNRLVLDMVGKLKSEVGDRVEVVGGNVATRSAAAALVDAGADAVKVGVGPGSICTTRVVAGVGAPQITAILEAVAACRPAGVPVIADGGLQYSGDIAKALAAGASTAMLGSLLAGTAEAPGELIFVNGKQYKSYRGMGSLGAMRGRGGATSYSKDRYFADDALSEDKLVPEGIEGRVPFRGPLSSVIHQLTGGLRAAMGYTGSPTIEVLQQAQFVRITPAGLKESHPHDVAMTVEAPNYYAR
  
Inhibitor
Name:
BDBM50432798
Synonyms:
CHEMBL2348814
Type:
Small organic molecule
Emp. Form.:
C22H19N3O4
Mol. Mass.:
389.404
SMILES:
COc1ccc(OC(C)C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
Structure:
Search PDB for entries with ligand similarity: