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Target
Trehalose-phosphatase
Ligand
BDBM50235457
Substrate
n/a
Meas. Tech.
ChEMBL_1657277 (CHEMBL4006747)
Ki
320000±n/a nM
Citation
 Liu, C; Dunaway-Mariano, D; Mariano, PS Rational design of reversible inhibitors for trehalose 6-phosphate phosphatases. Eur J Med Chem 128:274-286 (2017) [PubMed]  Article 
Target
Name:
Trehalose-phosphatase
Synonyms:
3.1.3.12 | GOB1_BRUMA | TPP | Trehalose-6-phosphate phosphatase | Trehalose-phosphatase
Type:
PROTEIN
Mol. Mass.:
55112.20
Organism:
Brugia malayi
Description:
ChEMBL_117478
Residue:
492
Sequence:
MTETVTDQGKQRSSKLQKNEAAKDEQVEGKGKETLESGTDKSAEQNSSLLVGQPDVIDNDNVQTVDDFKNLMYKMQETRRAIVFALLNEKDLTKDDVEILKRAYEKLTDNQTHSFQREMCTLTTKLSVNIGDETRGLEKDLKYLDALMNIRREEPNLLWPIIMSRVDLFSILANYHPKGKETFLKEYEDTVKFLKTFISSEAITGKKPIFITDWDGTMKDYCSQYATNLQPVYSAVGMTRFAASFTRISAVLTAGPLRGPGILDLTAMPIDGPVMFSGSWGREWWLSGKRVVHQDGITDEGFNALQRLDDEMKDLLHTSDYAPFALVGSGVQRKVDRLTLGVQTVCHHVTSELSNRYQMAVKERMHRVDPNSQILVFDPSTELEVEVVAHNSGIIWNKGNGVERLIKSLGDSLQSPGKILICGDTLSDIPMVRQAVKQNPDGVLAIFVGAKMSLREEVKQVIGDESRCCFVSCPDVIHAAMSQILNEHCIGK
  
Inhibitor
Name:
BDBM50235457
Synonyms:
CHEMBL4094282
Type:
Small organic molecule
Emp. Form.:
C12H16O9S
Mol. Mass.:
336.315
SMILES:
O[C@H]1[C@H](O)[C@@H](COS(O)(=O)=O)O[C@H](Oc2ccccc2)[C@@H]1O |r|
Structure:
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