BIOPEP-UWM: Report

ID 11276
Name Inhibitor of peptidylprolyl isomerase
sequence
F<!C3:0[1S;1OH;2(S)NH2;3*]>PF<~!ph[4NO2]>
Function:
Inhibitor of peptidylprolyl isomerase (EC 5.2.1.8)
 
Number of residues
5
Activity code
ppi
Activity :
peptidylprolyl isomerase inhibitor
Chemical mass 712.7094 Monoisotopic mass 712.2072
IC50 :
4.00 µM


Bibliographic data:
Authors
Zhang Y., Fuessel S., Reimer U., Schutkowski M., Fischer G.
Title
Substrate-based design of reversible Pin1 inhibitors. Biochemistry, 41, 11868-11877, 2002
Year Source
2002 Journal


Additional information:
BIOPEP-UWM database of bioactive peptides


SMILES: N[C@@H](CC1=CC=C(C=C1))C(=O)N[C@@H](COP(=O)(O)O)C(=S)N1[C@@]([H])(CCC1)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)NC1=CC=C([N+](=O)[O-])C=C1

InChI=1S/C32H37N6O9PS/c33-25(18-21-8-3-1-4-9-21)29(39)36-27(20-47-48(44,45)46)32(49)37-17-7-12-28(37)31(41)35-26(19-22-10-5-2-6-11-22)30(40)34-23-13-15-24(16-14-23)38(42)43/h1-6,8-11,13-16,25-28H,7,12,17-20,33H2,(H,34,40)(H,35,41)(H,36,39)(H2,44,45,46)/t25-,26-,27-,28-/m0/s1

InChIKey=VRHRFQRFNZBTAI-LJWNLINESA-N


<!C3:0[1S;1OH;2(S)NH2;3*]> - Phospho-L-Seryl-[pcp] tautomer (ID 264 in the BIOPEP-UWM repository of amino acids and modifications)
<~!ph[4NO2]> - 4-Nitroaniline - C-terminal modification (ID 259 in the BIOPEP-UWM repository of amino acids and modifications)


Database reference:
BRENDA: Ligand Phe-Ser(PO3H2)-PSI[CS-N]-Pro-Phe-NH-4-nitroanilide