35512-29-9
Chemical Structure
4-CPI
Synonym(s): 4-(4-Chlorophenyl)imidazole
- CAS No.: 35512-29-9
- Formula:C9H7ClN2
- Molecular Weight:178.62
IUPAC Name: 5-(4-chlorophenyl)-1H-imidazole
InChIKey: DVKIFCXVRCGAEE-UHFFFAOYSA-N
SMILES: ClC=1C=CC(=CC1)C2=CN=CN2
Biological Activity: 4-CPI (4-(4-Chlorophenyl)imidazole) is a CYP2B4 inhibitor with an IC50 of 0.11 μM and a Kd of 0.043 μM. The Ks of 4-CPI for cytochrome P450eryF (S93C/C154S mutant) is 9.4 μM, with no allosteric cooperative effect of ligand binding[1][2]. 4-CPI binds to CYP2B4 at a 1:1 ratio, which induces substantial conformational changes in the enzyme's active pocket to form a closed crystal conformation (PDB:1SUO). 4-CPI can be used to investigate the flexibility of P450 active pockets, protein-ligand binding thermodynamics, and the allosteric mechanisms of P450[1][2].
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4-CPI | 4-CPI (4-(4-Chlorophenyl)imidazole) is a CYP2B4 inhibitor with an IC50 of 0.11 μM and a Kd of 0.043 μM. The Ks of 4-CPI for cytochrome P450eryF (S93C/C154S mutant) is 9.4 μM, with no allosteric cooperative effect of ligand binding. 4-CPI binds to CYP2B4 at a 1:1 ratio, which induces substantial conformational changes in the enzyme's active pocket to form a closed crystal conformation (PDB:1SUO). 4-CPI can be used to investigate the flexibility of P450 active pockets, protein-ligand binding thermodynamics, and the allosteric mechanisms of P450. | |||||||||||||||||||||
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- [1]. Muralidhara BK, et al. Conformational flexibility of mammalian cytochrome P450 2B4 in binding imidazole inhibitors with different ring chemistry and side chains. Solution thermodynamics and molecular modeling. J Biol Chem. 2006 Mar 24;281(12):8051-61. [Content Brief]
- [2]. Muralidhara BK, et al. Dissecting the thermodynamics and cooperativity of ligand binding in cytochrome P450eryF. Journal of the American Chemical Society. 2007 Feb 21;129(7):2015-24. [Content Brief]
Keywords
