Reaction Details Report a problem with these data
Target
Thiamine transporter ThiT
Ligand
BDBM50373886
Substrate
n/a
Meas. Tech.
Intrinsic-Fluorescence Titration
Kd
4.23±1.69 nM
Citation
 Swier, LJ; Monjas, L; Guskov, A; de Voogd, AR; Erkens, GB; Slotboom, DJ; Hirsch, AK Structure-based design of potent small-molecule binders to the S-component of the ECF transporter for thiamine. Chembiochem 16:819-26 (2015) [PubMed]  Article 
Target
Name:
Thiamine transporter ThiT
Synonyms:
THIT_LACLM | Thiamine transporter (ThiT) | thiT
Type:
Protein
Mol. Mass.:
19919.46
Organism:
Lactococcus lactis (Firmicutes)
Description:
3RLB
Residue:
182
Sequence:
MSNSKFNVRLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLTAGLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGIAGLFRQKTAPLKLAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGISGILTAIAAFVILIIFVKKFPKLFIHSNY
  
Inhibitor
Name:
BDBM50373886
Synonyms:
3-Deazathiamine | CHEMBL401772
Type:
Small organic molecule
Emp. Form.:
C13H17N3OS
Mol. Mass.:
263.359
SMILES:
Cc1c(Cc2cnc(C)nc2N)csc1CCO
Structure:
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