Reaction Details Report a problem with these data
Target
Isoleucine--tRNA ligase
Ligand
BDBM50075055
Substrate
n/a
Meas. Tech.
ChEMBL_98545 (CHEMBL708593)
IC50
100±n/a nM
Citation
 Yu, XY; Hill, JM; Yu, G; Wang, W; Kluge, AF; Wendler, P; Gallant, P Synthesis and structure-activity relationships of a series of novel thiazoles as inhibitors of aminoacyl-tRNA synthetases. Bioorg Med Chem Lett 9:375-80 (1999) [PubMed]  Article 
Target
Name:
Isoleucine--tRNA ligase
Synonyms:
IleRS | Isoleucine--tRNA ligase | Isoleucyl-tRNA synthetase | SYI1_STAAU | ileS
Type:
PROTEIN
Mol. Mass.:
104861.59
Organism:
Staphylococcus aureus
Description:
ChEMBL_88808
Residue:
917
Sequence:
MDYKETLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETFILHDGPPYANGNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLPIEQALTKKGVDRKKMSTAEFREKCKEFALEQIELQKKDFRRLGVRGDFNDPYITLKPEYEAAQIRIFGEMADKGLIYKGKKPVYWSPSSESSLAEAEIEYHDKRSASIYVAFNVKDDKGVVDADAKFIIWTTTPWTIPSNVAITVHPELKYGQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEYVVAQHPFLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQKYELPVISPIDDKGVFTEEGGQFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRTKKPVIFRATPQWFASISKVRQDILDAIENTNFKVNWGKTRIYNMVRDRGEWVISRQRVWGVPLPVFYAENGEIIMTKETVNHVADLFAEHGSNIWFEREAKDLLPEGFTHPGSPNGTFTKETDIMDVWFDSGSSHRGVLETRPELSFPADMYLEGSDQYRGWFNSSITTSVATRGVSPYKFLLSHGFVMDGEGKKMSKSLGNVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTSDVYRKIRNTLRFMLGNINDFNPDTDSIPESELLEVDRYLLNRLREFTASTINNYENFDYLNIYQEVQNFINVELSNFYLDYGKDILYIEQRDSHIRRSMQTVLYQILVDMTKLLAPILVHTAEEVWSHTPHVKEESVHLADMPKVVEVDQALLDKWRTFMNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNASEFLTSFDALHQLFIVSQVKVVDKLDDQATAYEHGDIVIEHADGEKCERCWNYSEDLGAVDELTHLCPRCQQVVKSLV
  
Inhibitor
Name:
BDBM50075055
Synonyms:
((S)-2-Amino-4-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-5-{4-[2-(4-phenoxy-phenyl)-ethyl]-thiazol-2-yl}-tetrahydro-furan-2-ylmethyl ester | CHEMBL341331
Type:
Small organic molecule
Emp. Form.:
C28H35N3O8S2
Mol. Mass.:
605.723
SMILES:
CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1
Structure:
Search PDB for entries with ligand similarity: