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Target
Cytochrome P450 2C9
Ligand
BDBM50090677
Substrate
n/a
Meas. Tech.
ChEMBL_1713505 (CHEMBL4123554)
IC50
720±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 Chem 26:2996-3005 (2018) [PubMed] Article
More Info.:
Target
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:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
Inhibitor
Name:
BDBM50090677
Synonyms:
4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfonamide | 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide | CHEMBL1109 | SULFAPHENAZOLE | Sulfabid | Sulphaphenazole | US9180183, Sulfaphenazole
Type:
Small organic molecule
Emp. Form.:
C15H14N4O2S
Mol. Mass.:
314.362
SMILES:
Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1