Reaction Details Report a problem with these data
Target
Probable UDP-galactopyranose mutase
Ligand
BDBM163671
Substrate
n/a
Meas. Tech.
HPLC-based Assay
Temperature
295.15±0 K
Kd
5.0e+3± 1e+3 nM
Citation
 Kincaid, VA; London, N; Wangkanont, K; Wesener, DA; Marcus, SA; Héroux, A; Nedyalkova, L; Talaat, AM; Forest, KT; Shoichet, BK; Kiessling, LL Virtual Screening for UDP-Galactopyranose Mutase Ligands Identifies a New Class of Antimycobacterial Agents. ACS Chem Biol 10:2209-18 (2015) [PubMed]  Article 
Target
Name:
Probable UDP-galactopyranose mutase
Synonyms:
GLF8_KLEPN | UDP-galactopyranose mutase | Uridine 5'-diphosphate-galactopyranose mutase (UGM) | rfbD
Type:
Protein
Mol. Mass.:
44463.54
Organism:
Klebsiella pneumoniae (Enterobacteria)
Description:
n/a
Residue:
384
Sequence:
MNNKNIMIVGAGFSGVVIARQLAEQGYTVKIIDRRDHIGGNSYDTRDPQTDVMVHVYGPHIFHTDNETVWNYVNQYAEMMPYVNRVKATVNGQVFSLPINLHTINQFFAKTCSPDEARALISEKGDSSIVEPQTFEEQALRFIGKELYEAFFKGYTIKQWGMEPSELPASILKRLPVRFNYDDNYFNHKFQGMPKLGYTRMIEAIADHENISIELQREFLPEEREDYAHVFYSGPLDAFYSYQYGRLGYRTLDFEKFTYQGDYQGCAVMNYCSIDVPYTRITEHKYFSPWESHEGSVCYKEYSRACGENDIPYYPIRQMGEMALLEKYLSLAESEKNITFVGRLGTYRYLDMDVTIAEALKTADEFLSSVANQEEMPVFTVPVR
  
Inhibitor
Name:
BDBM163671
Synonyms:
2‐{3‐[(4‐Bromophenyl)methyl]‐6‐(4‐chlorophenyl)‐7H‐[1,2,4]triazolo[3,4‐b][1,3,4]thiadiazin‐7‐yl}acetate (30)
Type:
Small organic molecule
Emp. Form.:
C19H13BrClN4O2S
Mol. Mass.:
476.755
SMILES:
[O-]C(=O)CC1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1 |c:21|
Structure:
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