Target
Cytochrome P450 2C9
Ligand
BDBM50090677
Substrate
n/a
Meas. Tech.
ChEMBL_1713505 (CHEMBL4123554)
IC50
720±n/a nM
Citation
 O' Neill, PMStocks, PASabbani, SRoberts, NLAmewu, RKShore, ERAljayyoussi, GAngulo-Barturén, IBelén, MJiménez-Díaz, naBazaga, SFMartínez, MSCampo, BSharma, RCharman, SARyan, EChen, GShackleford, DMDavies, JNixon, GLBiagini, GAWard, 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 
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
Structure:
Search PDB for entries with ligand similarity: