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Target
dTDP-4-dehydrorhamnose reductase
Ligand
BDBM50180512
Substrate
n/a
Meas. Tech.
ChEMBL_799072 (CHEMBL1942013)
IC50
25000±n/a nM
Citation
 Wang, Y; Hess, TN; Jones, V; Zhou, JZ; McNeil, MR; Andrew McCammon, J Novel inhibitors of Mycobacterium tuberculosis dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) identified by virtual screening. Bioorg Med Chem Lett 21:7064-7 (2011) [PubMed]  Article 
Target
Name:
dTDP-4-dehydrorhamnose reductase
Synonyms:
RMLD_MYCTU | dTDP-4-keto-L-rhamnose reductase | dTDP-6-deoxy-L-lyxo-4-hexulose reductase | dTDP-6-deoxy-L-mannose dehydrogenase | dTDP-L-rhamnose synthase | rmlD
Type:
PROTEIN
Mol. Mass.:
32045.92
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_799072
Residue:
304
Sequence:
MAGRSERLVITGAGGQLGSHLTAQAAREGRDMLALTSSQWDITDPAAAERIIRHGDVVINCAAYTDVDGAESNEAVAYAVNATGPQHLARACARVGARLIHVSTDYVFDGDFGGAEPRPYEPTDETAPQGVYARSKLAGEQAVLAAFPEAAVVRTAWVYTGGTGKDFVAVMRRLAAGHGRVDVVDDQTGSPTYVADLAEALLALADAGVRGRVLHAANEGVVSRFGQARAVFEECGADPQRVRPVSSAQFPRPAPRSSYSALSSRQWALAGLTPLRHWRSALATALAAPANSTSIDRRLPSTRD
  
Inhibitor
Name:
BDBM50180512
Synonyms:
1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol | CHEMBL205119
Type:
Small organic molecule
Emp. Form.:
C17H16O2
Mol. Mass.:
252.3077
SMILES:
Cc1c(O)ccc-2c1CCc1cc(O)cc(C=C)c-21
Structure:
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