Bromophenyl-methoxyphenyl-pyrazol-carbamoyl-cyclohexyl-propanoate-Cpd2
Compound 2 was soaked into cathepsin A crystals, the electron density maps only showed density for part of the inhibitor . The fragment of compound 2, (2-(cyclohexylmethyl)propanedioic-acid) which resembles a carboxyterminal amino acid, was cleaved off by the proteolytic activity of cathepsin A
General
Type : Carboxamide, Pyrazole, Propionate
Chemical_Nomenclature : 3-Cyclohexyl-2-[N-1-(4-bromo-2-tolyl)-5-(o-methoxyphenyl)-3-pyrazolylcarbamoyl]propionic acid
Canonical SMILES : C1=CC=CC(=C1OC)C2=CC(=N[N]2C3=C(C=C(C=C3)Br)C)NC(=O)C(CC4CCCCC4)C(=O)O
InChI : InChI=1S\/C27H30BrN3O4\/c1-17-14-19(28)12-13-22(17)31-23(20-10-6-7-11-24(20)35-2)16-25(30-31)29-26(32)21(27(33)34)15-18-8-4-3-5-9-18\/h6-7,10-14,16,18,21H,3-5,8-9,15H2,1-2H3,(H,33,34)(H,29,30,32)
InChIKey : MEVNUSPFBQFOIF-UHFFFAOYSA-N
Other name(s) : 3-cyclohexyl-2-[N-1-(4-bromo-2-methylphenyl)-5-(2-methoxyphenyl)-1H-pyrazol-3-ylcarbamoyl]propanoic acid || Compound 2
Target
Families : Bromophenyl-methoxyphenyl-pyrazol-carbamoyl-cyclohexyl-propanoate-Cpd2 ligand of proteins in family
Carboxypeptidase_S10
Structure :
4CIB
Protein :
human-CTSA
References
No reference