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Target
Isoleucine--tRNA ligase
Ligand
BDBM50093001
Substrate
n/a
Meas. Tech.
ChEBML_88809
IC50
37±n/a nM
Citation
 Banwell, MG; Crasto, CF; Easton, CJ; Forrest, AK; Karoli, T; March, DR; Mensah, L; Nairn, MR; O'Hanlon, PJ; Oldham, MD; Yue, W Analogues of SB-203207 as inhibitors of tRNA synthetases. Bioorg Med Chem Lett 10:2263-6 (2001) [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:
BDBM50093001
Synonyms:
(4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-3-methyl-butyrylsulfamoyl)-acetylamino]-4-carbamoyl-6-hydroxy-2-methyl-2,4a,5,6,7,7a-hexahydro-1H-[2]pyrindine-7-carboxylic acid | CHEMBL74755
Type:
Small organic molecule
Emp. Form.:
C18H29N5O8S
Mol. Mass.:
475.517
SMILES:
CC(C)[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1([C@@H](O)C[C@@H]2[C@H]1CN(C)C=C2C(N)=O)C(O)=O |c:25|
Structure:
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