BIOPEP-UWM: Report

ID 11273
Name Inhibitor of peptidylprolyl isomerase
sequence
{C2:0}AA{s[3*]}PL{~!ph[4NO2]}
Function:
Inhibitor of peptidylprolyl isomerase (EC 5.2.1.8)
 
Number of residues
7
Activity code
ppi
Activity :
peptidylprolyl isomerase inhibitor
Chemical mass 699.6449 Monoisotopic mass 699.2619
IC50 :
1.00 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: CC(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C)C(=O)N[C@H](COP(=O)(O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(C)C)C(=O)NC1=CC=C([N+](=O)[O-])C=C1

InChI=1S/C28H42N7O12P/c1-15(2)13-21(26(39)31-19-8-10-20(11-9-19)35(42)43)32-27(40)23-7-6-12-34(23)28(41)22(14-47-48(44,45)46)33-25(38)17(4)30-24(37)16(3)29-18(5)36/h8-11,15-17,21-23H,6-7,12-14H2,1-5H3,(H,29,36)(H,30,37)(H,31,39)(H,32,40)(H,33,38)(H2,44,45,46)/t16-,17-,21-,22+,23-/m0/s1

InChIKey=KNCOXZNZOBBYOA-WFDRNDOFSA-N


{C2:0} - Acetic acid - N-terminal modification (ID 130 in the BIOPEP-UWM repository of amino acids and modifications)
{s[3*]} - Phospho-D-serine (ID 262 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 acetyl-Ala-Ala-D-Ser(PO3H2)-Pro-Leu-NH-4-nitroanilide