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Target
Isoleucine--tRNA ligase
Ligand
BDBM50075058
Substrate
n/a
Meas. Tech.
ChEBML_88808
IC50
50±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:
BDBM50075058
Synonyms:
((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(3-methoxy-phenyl)-thiazol-2-yl]-tetrahydro-furan-2-ylmethyl ester | CHEMBL125075
Type:
Small organic molecule
Emp. Form.:
C21H29N3O8S2
Mol. Mass.:
515.6
SMILES:
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(cs1)-c1cccc(OC)c1
Structure:
Search PDB for entries with ligand similarity: