Ligand · 4F5

4F5 · N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide

4F5, N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide (C26 H28 N6 O3 S, 504.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: 4F5
Formula: C26 H28 N6 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

4F5 in 2 structures; the first of them:

4YOG · HKU4-3CLpro bound to non-covalent inhibitor 3B · 4F5 A405 · binds MET25, HIS41, CYS44, PRO45, ALA46, LEU49, TYR54, PHE143 and 11 more
4YOG · HKU4-3CLPRO bound to non-covalent inhibitor 3B · 4F5 A405 · binds MET25, HIS41, CYS44, PRO45, ALA46, LEU49, TYR54, PHE143 and 11 more

Residues it binds most

CYS 4, GLN 4, HIS 4, LEU 4, MET 4, SER 4, ALA 4, ASP 4, GLU 4, LYS 4 (residue and the binding sites it lines).

Found with

ACT · Acetate ion

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