Reaction Details Report a problem with these data
Target
Thiamine transporter ThiT
Ligand
BDBM150802
Substrate
n/a
Meas. Tech.
Intrinsic-Fluorescence Titration
Kd
5.21±3.19 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:
BDBM150802
Synonyms:
(4-((4-Amino-2-methylpyrimidin-5-yl)methyl)-3-methylthiophen-2-yl)methanol (7)
Type:
Small organic molecule
Emp. Form.:
C12H15N3OS
Mol. Mass.:
249.332
SMILES:
Cc1c(Cc2cnc(C)nc2N)csc1CO
Structure:
Search PDB for entries with ligand similarity: