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Target
Threonine--tRNA ligase
Ligand
BDBM50604795
Substrate
n/a
Meas. Tech.
ChEMBL_2249387 (CHEMBL5163597)
IC50
3290±n/a nM
Citation
 Cai, Z; Chen, B; Yu, Y; Guo, J; Luo, Z; Cheng, B; Xu, J; Gu, Q; Zhou, H Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases. J Med Chem 65:5800-5820 (2022) [PubMed] 
Target
Name:
Threonine--tRNA ligase
Synonyms:
6.1.1.3 | ThrRS | Threonyl-tRNA synthetase | thrS
Type:
PROTEIN
Mol. Mass.:
73974.35
Organism:
Salmonella enterica
Description:
ChEMBL_120749
Residue:
642
Sequence:
MPVITLPDGSQRHYDHPVSPMDVALDIGPGLAKATIAGRVNGDLVDASDLIENDATLSIITAKDEEGLEIIRHSCAHLLGHAIKQLWPHTKMAIGPVVDNGFYYDVDLDRTLTQEDVEALEKRMHELAEKNYDVIKKKVSWHEARETFVKRGESYKVSILDENIAHDDKPGLYHHEEYVDMCRGPHVPNMRFCHHFKLMKTAGAYWRGDSNNKMLQRIYGTAWADKKALNAYLQRLEEAAKRDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELEVFVRSKLKEYQYQEVKGPFMMDRVLWEKTGHWDNYKDAMFTTSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGSCHRNEPSGALHGLMRVRGFTQDDAHIFCTEEQIRDEVNACIRMVYDMYSTFGFEKIVVKLSTRPDKRIGSDEMWDRAEADLAVALEENNIPFEYQLGEGAFYGPKIEFTLYDCLDRAWQCGTVQLDFSLPSRLSASYVGEDNERKVPVMIHRAILGSMERFIGILTEEFAGFFPTWLAPVQVVVMNITDSQSEYVNELTQKLQNAGIRVKADLRNEKIGFKIREHTLRRVPYMLVCGDKEVEAGKVAVRTRRGKDLGSLDVNDVIEKLQQEIRSRSLQQLEE
  
Inhibitor
Name:
BDBM50604795
Synonyms:
CHEMBL5183449
Type:
Small organic molecule
Emp. Form.:
C29H28Cl3N5O4
Mol. Mass.:
616.923
SMILES:
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CNC(=O)CCn1cnc2cc(Cl)c(Cl)cc2c1=O)c1cccc(c1)-c1ccc(Cl)cc1 |r|
Structure:
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