Reaction Details | |||
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Target | Cytochrome P450 2C9 | ||
Ligand | BDBM50273688 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1713505 (CHEMBL4123554) | ||
IC50 | >20000±n/a nM | ||
Citation | O' Neill, PM; Stocks, PA; Sabbani, S; Roberts, NL; Amewu, RK; Shore, ER; Aljayyoussi, G; Angulo-Barturén, I; Belén, M; Jiménez-Díaz, na; Bazaga, SF; Martínez, MS; Campo, B; Sharma, R; Charman, SA; Ryan, E; Chen, G; Shackleford, DM; Davies, J; Nixon, GL; Biagini, GA; Ward, SA Synthesis and profiling of benzylmorpholine 1,2,4,5-tetraoxane analogue N205: Towards tetraoxane scaffolds with potential for single dose cure of malaria. Bioorg Med Chem26:2996-3005 (2018) [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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BDBM50273688 | |||
n/a | |||
Name | BDBM50273688 | ||
Synonyms: | CHEMBL4127539 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H37NO5 | ||
Mol. Mass. | 455.5864 | ||
SMILES | C(N1CCOCC1)c1ccc(cc1)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 |TLB:32:31:27.26.25:29,THB:32:26:29:21.30.31,27:26:21:28.29.30,27:28:21:26.25.32,(41.94,-38.08,;42.71,-39.42,;41.93,-40.75,;42.69,-42.09,;44.24,-42.1,;45.02,-40.76,;44.25,-39.41,;40.39,-38.08,;39.61,-39.42,;38.07,-39.41,;37.31,-38.07,;38.08,-36.74,;39.62,-36.74,;35.77,-38.06,;34.99,-39.39,;33.46,-39.39,;32.69,-38.05,;33.46,-36.72,;35,-36.73,;31.92,-39.38,;30.39,-39.38,;29.63,-38.04,;30.39,-36.71,;31.93,-36.72,;28.73,-39.28,;27.39,-38.74,;26.6,-37.56,;24.87,-37.89,;26.34,-38.44,;27.15,-39.72,;27.26,-37.14,;28.84,-36.75,;27.46,-36.35,)| | ||
Structure |