| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Pantothenate synthetase |
|---|
| Ligand | BDBM50180855 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1584956 (CHEMBL3819980) |
|---|
| IC50 | 250±n/a nM |
|---|
| Citation |  Radoux, CJ; Olsson, TS; Pitt, WR; Groom, CR; Blundell, TL Identifying Interactions that Determine Fragment Binding at Protein Hotspots. J Med Chem59:4314-25 (2016) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Pantothenate synthetase |
|---|
| Name: | Pantothenate synthetase |
|---|
| Synonyms: | Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group | PANC_MYCTU | Pantothenate synthetase | panC |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | 32675.10 |
|---|
| Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
|---|
| Description: | ChEMBL_102878 |
|---|
| Residue: | 309 |
|---|
| Sequence: | MTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGS
VVVVSIFVNPMQFGAGEDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQP
GPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVA
VVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLD
AAPGVAVDYLELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAGTDRPDGYR
AILESHWRN
|
|
|
|---|
| BDBM50180855 |
|---|
| n/a |
|---|
| Name | BDBM50180855 |
|---|
| Synonyms: | CHEMBL3818314 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H17F3N2O6S |
|---|
| Mol. Mass. | 470.419 |
|---|
| SMILES | COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)NS(=O)(=O)Cc1ccc(cc1)C(F)(F)F |
|---|
| Structure | 
|
|---|
Search and Browse
