Reaction Details Report a problem with these data
Target
Pantothenate synthetase
Ligand
BDBM84862
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.6±0
Temperature
298.15±0 K
Kd
3.80e+5± 3.0e+4 nM
Citation
 Scott, DE; Dawes, GJ; Ando, M; Abell, C; Ciulli, A A fragment-based approach to probing adenosine recognition sites by using dynamic combinatorial chemistry. Chembiochem 10:2772-9 (2009) [PubMed]  Article 
Target
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:
MTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQFGAGEDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAGTDRPDGYRAILESHWRN
  
Inhibitor
Name:
BDBM84862
Synonyms:
5'-Deoxy-5'-thiodenosine scaffold, 6
Type:
Small organic molecule
Emp. Form.:
C10H13N5O3S
Mol. Mass.:
283.307
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS)[C@@H](O)[C@H]1O |r|
Structure:
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