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Target
dTDP-4-dehydrorhamnose reductase
Ligand
BDBM51252
Substrate
n/a
Meas. Tech.
ChEMBL_799072 (CHEMBL1942013)
IC50
2100±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:
dTDP-6-deoxy-L-lyxo-4-hexulose reductase | dTDP-L-rhamnose synthase | dTDP-4-keto-L-rhamnose reductase | dTDP-6-deoxy-L-mannose dehydrogenase | RMLD_MYCTU | rmlD
Type:
PROTEIN
Mol. Mass.:
32045.92
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
ChEMBL_799072
Residue:
304
Sequence:
MAGRSERLVITGAGGQLGSHLTAQAAREGRDMLALTSSQWDITDPAAAERIIRHGDVVINCAAYTDVDGAESNEAVAYAVNATGPQHLARACARVGARLIHVSTDYVFDGDFGGAEPRPYEPTDETAPQGVYARSKLAGEQAVLAAFPEAAVVRTAWVYTGGTGKDFVAVMRRLAAGHGRVDVVDDQTGSPTYVADLAEALLALADAGVRGRVLHAANEGVVSRFGQARAVFEECGADPQRVRPVSSAQFPRPAPRSSYSALSSRQWALAGLTPLRHWRSALATALAAPANSTSIDRRLPSTRD
  
Inhibitor
Name:
BDBM51252
Synonyms:
SMR000528081 | MLS000737903 | cid_72722 | 2,6,7-trihydroxy-9-(2-hydroxyphenyl)xanthen-3-one | 2,6,7-trihydroxy-9-(2-hydroxyphenyl)-3-xanthenone | 9-(2-hydroxyphenyl)-2,6,7-tris(oxidanyl)xanthen-3-one | 2,6,7-trihydroxy-9-(2-hydroxyphenyl)fluorone
Type:
Small organic molecule
Emp. Form.:
C19H12O6
Mol. Mass.:
336.06
SMILES:
Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;8.01,2.04,;8.01,3.58,;9.34,4.35,;10.68,3.58,;10.68,2.04,;12.01,1.27,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
Structure:
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