BIOPEP-UWM: Report

ID 244
Name Farnesyltransferase inhibitor
sequence
CPIAIM
Function:
Predicted ligand of farnesyltransferase (EC 2.5.1.58) (PDB ID: 2H6I)
 
Number of residues
6
Activity code
far
Activity :
farnesyltransferase inhibitor
Chemical mass 646.8628 Monoisotopic mass 646.3171
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])(CS)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCSC)C(=O)O

InChI=1S/C28H50N6O7S2/c1-7-15(3)21(33-24(36)20-10-9-12-34(20)27(39)18(29)14-42)25(37)30-17(5)23(35)32-22(16(4)8-2)26(38)31-19(28(40)41)11-13-43-6/h15-22,42H,7-14,29H2,1-6H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)(H,40,41)/t15-,16-,17-,18-,19-,20-,21-,22-/m0/s1

InChIKey=HYXBZRVEGQEIAR-JOFXYRRGSA-N


Bioactivity predicted using molecular docking


Database reference: