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Target
Isoleucine--tRNA ligase
Ligand
BDBM50470912
Substrate
n/a
Meas. Tech.
ChEMBL_88812 (CHEMBL696848)
IC50
7.98±n/a nM
Citation
 Broom, NJ; Cassels, R; Cheng, HY; Elder, JS; Hannan, PC; Masson, N; O'Hanlon, PJ; Pope, A; Wilson, JM The chemistry of pseudomonic acid. 17. Dual-action C-1 oxazole derivatives of pseudomonic acid having an extended spectrum of antibacterial activity. J Med Chem 39:3596-600 (1996) [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:
BDBM50470912
Synonyms:
CHEMBL120437
Type:
Small organic molecule
Emp. Form.:
C25H32N2O8
Mol. Mass.:
488.5302
SMILES:
[H][C@]1(O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\c2ncc(o2)-c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O
Structure:
Search PDB for entries with ligand similarity: