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Target
Isoleucine--tRNA ligase
Ligand
BDBM50471291
Substrate
n/a
Meas. Tech.
ChEMBL_88811 (CHEMBL696847)
IC50
6.0±n/a nM
Citation
 Brown, P; Best, DJ; Broom, NJ; Cassels, R; O'Hanlon, PJ; Mitchell, TJ; Osborne, NF; Wilson, JM The chemistry of pseudomonic acid. 18. Heterocyclic replacement of the alpha,beta-unsaturated ester: synthesis, molecular modeling, and antibacterial activity. J Med Chem 40:2563-70 (1997) [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:
BDBM50471291
Synonyms:
CHEMBL83394
Type:
Small organic molecule
Emp. Form.:
C22H29NO5S
Mol. Mass.:
419.534
SMILES:
[H][C@]1(O[C@H]1C[C@H]1CO[C@@H](Cc2csc(n2)-c2ccccc2)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O
Structure:
Search PDB for entries with ligand similarity: