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Inhibitor Report for: Z-Pro-Prolinal-IC3

General
Type Benzyloxycarbonyl, Pyrrolidine, Peptide, Cyanide
Chemical_Nomenclature (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
Canonical SMILES C1CC(N(C1)C(=O)C2CCCN2C(=O)CCCC3=CC=CC=C3)C#N
InChI InChI=1S/C20H25N3O2/c21-15-17-10-5-13-22(17)20(25)18-11-6-14-23(18)19(24)12-4-9-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-14H2/t17-,18-/m0/s1
InChIKey SPXFAUXQZWJGCJ-ROUUACIJSA-N
Other name(s) IC3 ; 2P6 ; CHEMBL189620 ; 4an0 ; KYP-2047 ; BDBM50155838 ; ZINC13584669 ; KYP-2047, >=95% (HPLC)
________________________________________________________________________________________________
MW|339.43
Formula|C20H25N3O2
CAS_number|
PubChem|11198569
UniChem|SPXFAUXQZWJGCJ-ROUUACIJSA-N
IUPHAR|
Wikipedia|

Target
Families | Z-Pro-Prolinal-IC3 ligand of proteins in family: S9N_PPCE_Peptidase_S9
Stucture | 1 structure: 4AN0: Prolyl Oligopeptidase from porcine brain with a covalently bound inhibitor IC-3
Protein | pig-ppce

References:
Search PubMed for references concerning: Z-Pro-Prolinal-IC3
    Title: Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase.
    Kaszuba K, Rog T, Danne R, Canning P, Fulop V, Juhasz T, Szeltner Z, St Pierre JF, Garcia-Horsman A and Bunker A <3 more author(s)>
    Ref: Biochimie, 94:1398, 2012 : PubMed