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Inhibitor Report for: FPB-derived-7k

Reversed Amide Inhibitor: reverse binding to DPP-4 when compared to classical DPP-4 inhibitors


General
Type Pyrrolidine, Sulfur Compound
Chemical_Nomenclature N-[[(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
Canonical SMILES CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2CCCN2C(=O)CC(CC3=CC(=CC=C3)Cl)N
InChI InChI=1S/C23H28ClN3O4S/c1-32(30,31)21-9-3-6-17(13-21)23(29)26-15-20-8-4-10-27(20)22(28)14-19(25)12-16-5-2-7-18(24)11-16/h2-3,5-7,9,11,13,19-20H,4,8,10,12,14-15,25H2,1H3,(H,26,29)/t19-,20+/m1/s1
InChIKey QRGBOABBMKYMLG-UXHICEINSA-N
Other name(s) PS4 ; CHEMBL564249 ; N-({(2s)-1-[(3r)-3-Amino-4-(3-Chlorophenyl)butanoyl]pyrrolidin-2-Yl}methyl)-3-(Methylsulfonyl)benzamide ; SCHEMBL8289096 ; BDBM50296131 ; DB08429 ; N-(((S)-1-((R)-3-amino-4-(3-chlorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-3-(methylsulfonyl)benzamide
________________________________________________________________________________________________
MW|478.00
Formula|C23H28ClN3O4S
CAS_number|
PubChem|42608447
UniChem|QRGBOABBMKYMLG-UXHICEINSA-N
IUPHAR|
Wikipedia|

Target
Families | FPB-derived-7k ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 1 structure: 3H0C: Crystal Structure of Human Dipeptidyl Peptidase IV (CD26) in Complex with a Reversed Amide Inhibitor
Protein | human-DPP4

References:
Search PubMed for references concerning: FPB-derived-7k
    Title: Discovery of beta-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV
    Nordhoff S, Cerezo-Galvez S, Deppe H, Hill O, Lopez-Canet M, Rummey C, Thiemann M, Matassa VG, Edwards PJ, Feurer A
    Ref: Bioorganic & Medicinal Chemistry Lett, 19:4201, 2009 : PubMed