| Reaction Details |
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 | Report a problem with these data |
| Target | Isoleucine--tRNA ligase |
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| Ligand | BDBM50093005 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_88809 |
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| IC50 | 910±n/a nM |
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| 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 Lett10:2263-6 (2001) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Isoleucine--tRNA ligase |
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| Name: | Isoleucine--tRNA ligase |
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| Synonyms: | IleRS | Isoleucine--tRNA ligase | Isoleucyl-tRNA synthetase | SYI1_STAAU | ileS |
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| Type: | PROTEIN |
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| Mol. Mass.: | 104861.59 |
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| Organism: | Staphylococcus aureus |
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| Description: | ChEMBL_88808 |
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| Residue: | 917 |
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| Sequence: | MDYKETLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETFILHDGPPYAN
GNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLPIEQALTKKGVDRKKMSTAEF
REKCKEFALEQIELQKKDFRRLGVRGDFNDPYITLKPEYEAAQIRIFGEMADKGLIYKGK
KPVYWSPSSESSLAEAEIEYHDKRSASIYVAFNVKDDKGVVDADAKFIIWTTTPWTIPSN
VAITVHPELKYGQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEYVVAQH
PFLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQKYELPVISPIDDKGVFTEEGG
QFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRTKKPVIFRATPQWFASISKVR
QDILDAIENTNFKVNWGKTRIYNMVRDRGEWVISRQRVWGVPLPVFYAENGEIIMTKETV
NHVADLFAEHGSNIWFEREAKDLLPEGFTHPGSPNGTFTKETDIMDVWFDSGSSHRGVLE
TRPELSFPADMYLEGSDQYRGWFNSSITTSVATRGVSPYKFLLSHGFVMDGEGKKMSKSL
GNVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTSDVYRKIRNTLRFMLGNIN
DFNPDTDSIPESELLEVDRYLLNRLREFTASTINNYENFDYLNIYQEVQNFINVELSNFY
LDYGKDILYIEQRDSHIRRSMQTVLYQILVDMTKLLAPILVHTAEEVWSHTPHVKEESVH
LADMPKVVEVDQALLDKWRTFMNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNAS
EFLTSFDALHQLFIVSQVKVVDKLDDQATAYEHGDIVIEHADGEKCERCWNYSEDLGAVD
ELTHLCPRCQQVVKSLV
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| BDBM50093005 |
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| n/a |
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| Name | BDBM50093005 |
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| Synonyms: | (4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentanoylsulfamoyl)-acetylamino]-4-carbamoyl-6-hydroxy-2-methyl-2,4a,5,6,7,7a-hexahydro-1H-[2]pyrindine-7-carboxylic acid | CHEMBL421500 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H31N5O8S |
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| Mol. Mass. | 489.543 |
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| SMILES | CC(C)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:26| |
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| Structure | 
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