BIOPEP-UWM: Report

ID 245
Name Farnesyltransferase inhibitor
sequence
AIVF
Function:
Predicted ligand of farnesyltransferase (EC 2.5.1.58) (PDB ID: 2H6I)
 
Number of residues
4
Activity code
far
Activity :
farnesyltransferase inhibitor
Chemical mass 448.5543 Monoisotopic mass 448.2677
EC50 :
0.00 µM


Bibliographic data:
Authors
Fatoki T. H., Aluko R. E., Udenigwe C. C.
Title
In silico investigation of molecular targets, pharmacokinetics, and biological activities of chicken egg ovalbumin protein hydrolysates. J. Food Bioact., 17, 34–48, 2022
Year Source
2022 Journal


Additional information:
BIOPEP-UWM Virtual database


SMILES: N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1))C(=O)O

InChI=1S/C23H36N4O5/c1-6-14(4)19(27-20(28)15(5)24)22(30)26-18(13(2)3)21(29)25-17(23(31)32)12-16-10-8-7-9-11-16/h7-11,13-15,17-19H,6,12,24H2,1-5H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t14-,15-,17-,18-,19-/m0/s1

InChIKey=ASVQHVLLZGDWCW-FQQAFBJJSA-N


Bioactivity predicted using molecular docking


Predicted ligand of angiotensin-converting enzyme (EC 3.4.15.1) (MEROPS ID: M02-001) (PDB ID: 4C2N) according to the BIOPEP-UWM Virtual database (ID 262)
Predicted ligand of ubiquitin ligase (XIAP) (EC 2.3.2.27) (Alpha Fold ID AF-P98170-F1-model-v2) according to the BIOPEP-UWM Virtual (ID 277)
Predicted ligand of cyclooxygenase-2 (COX-2) (EC 1.14.99.1) (PDB ID: 5K1R) according to the BIOPEP-UWM Virtual database (ID 284)


Database reference:
BIOPEP-UWM Virtual database: ID 262; 277; 284