Reaction Details Report a problem with these data
Target
UDP-galactopyranose mutase
Ligand
BDBM163663
Substrate
n/a
Meas. Tech.
HPLC-based Assay
Temperature
295.15±0 K
Ki
7.7e+4± 3.7e+4 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:
UDP-galactopyranose mutase
Synonyms:
UDP-galactopyranose mutase | Uridine 5'-diphosphate-galactopyranose mutase (UGM)
Type:
Protein
Mol. Mass.:
46837.27
Organism:
Corynebacterium diphtheriae
Description:
Q6NER4
Residue:
404
Sequence:
MWCLTPIRLSFPARLIPMSDFDLIVVGSGLFGLTVAERAASQLGKKVLIVEKRSHLGGNAYSEAEPETGIEIHKYGAHLFHTSNKRVWDYVNQFTAFTGYQHRVFAMHNGTAYQFPMGLGLINQFFGRYYTPDEARELIKEQSAEIDSKDATNLEEKAISLIGRPLYEAFIRDYTAKQWQTDPKELPAGNITRLPVRYNFDNRYFNDTYEGLPVDGYAQWLSNMADHENIEVRLDTDWFEVREDLRAQNPEAPVVYTGPLDRYFDYSEGHLGWRTLDFETEVLNTGDFQGTPVMNYNDAEFPYTRIHEFRHFHPEREDRHPKDKTVIMKEYSRFAEEGDEPYYPINTPSDREMLFKYRELADAETESGKVYFGGRLGTYQYLDMHMAIASALSMFDNKLVDALK
  
Inhibitor
Name:
BDBM163663
Synonyms:
2‐[6‐(4‐Chlorophenyl)‐3‐(thiophen‐2‐yl)‐7H‐[1,2,4]triazolo[3,4‐b][1,3,4]thiadiazin‐7‐yl]acetate (22)
Type:
Small organic molecule
Emp. Form.:
C16H10ClN4O2S2
Mol. Mass.:
389.86
SMILES:
[O-]C(=O)CC1Sc2nnc(-c3cccs3)n2N=C1c1ccc(Cl)cc1 |c:18|
Structure:
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