Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50090677
Substrate
n/a
Meas. Tech.
ChEMBL_1911031 (CHEMBL4413477)
IC50
>20000±n/a nM
Citation
Graziani, D; Caligari, S; Callegari, E; De Toma, C; Longhi, M; Frigerio, F; Dilernia, R; Menegon, S; Pinzi, L; Pirona, L; Tazzari, V; Valsecchi, AE; Vistoli, G; Rastelli, G; Riva, C Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5. J Med Chem 62:1246-1273 (2019) [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:
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