Reaction Details | |||
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Target | Cytochrome P450 2C9 | ||
Ligand | BDBM342945 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1662649 (CHEMBL4012330) | ||
IC50 | 12000±n/a nM | ||
Citation | Graceffa, RF; Boezio, AA; Able, J; Altmann, S; Berry, LM; Boezio, C; Butler, JR; Chu-Moyer, M; Cooke, M; DiMauro, EF; Dineen, TA; Feric Bojic, E; Foti, RS; Fremeau, RT; Guzman-Perez, A; Gao, H; Gunaydin, H; Huang, H; Huang, L; Ilch, C; Jarosh, M; Kornecook, T; Kreiman, CR; La, DS; Ligutti, J; Milgram, BC; Lin, MJ; Marx, IE; Nguyen, HN; Peterson, EA; Rescourio, G; Roberts, J; Schenkel, L; Shimanovich, R; Sparling, BA; Stellwagen, J; Taborn, K; Vaida, KR; Wang, J; Yeoman, J; Yu, V; Zhu, D; Moyer, BD; Weiss, MM Sulfonamides as Selective Na J Med Chem60:5990-6017 (2017) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 2C9 | |||
Name: | Cytochrome P450 2C9 | ||
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase | ||
Type: | Enzyme | ||
Mol. Mass.: | 55636.33 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P11712 | ||
Residue: | 490 | ||
Sequence: |
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BDBM342945 | |||
n/a | |||
Name | BDBM342945 | ||
Synonyms: | 1-(2,3''-difluoro-5-methoxy-4-biphenylyl)-N-3-isoxazolyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide | US9776995, Example 298 | US9776995, Example 299 | US9776995, Example 42 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H17F2N3O5S | ||
Mol. Mass. | 509.481 | ||
SMILES | COc1cc(c(F)cc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1 |(-.11,-.1,;1.22,-.87,;2.55,-.1,;2.55,1.44,;3.89,2.21,;5.22,1.44,;6.55,2.21,;5.22,-.1,;3.89,-.87,;3.89,-2.41,;2.55,-3.18,;1.22,-2.41,;-.11,-3.18,;-.11,-4.72,;1.22,-5.49,;2.55,-4.72,;3.89,-5.49,;5.22,-4.72,;5.22,-3.18,;6.55,-2.41,;-1.45,-5.49,;-2.22,-4.16,;-.68,-6.83,;-2.78,-6.26,;-4.12,-5.49,;-5.52,-6.12,;-6.55,-4.98,;-5.78,-3.64,;-4.28,-3.96,;3.89,3.75,;5.22,4.52,;5.22,6.06,;3.89,6.83,;2.55,6.06,;1.22,6.83,;2.55,4.52,)| | ||
Structure |