Ligand · 8PW

8PW · (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide

8PW, (2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide (C23 H25 F6 N3 O5 S, 569.5 g/mol), in the MolNFT structures on GenesisL1: bound…

Component: 8PW
Formula: C23 H25 F6 N3 O5 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

8PW in 2 structures; the first of them:

4BQV · Mouse cathepsin S with covalent ligand · 8PW A1341 · binds GLN141, GLY145, ALA146, CYS147, TRP148, LYS187, GLY191, GLY192 and 11 more
4BQV · Mouse cathepsin S with covalent ligand · 8PW A1341 · binds GLN141, GLY145, ALA146, CYS147, TRP148, LYS187, GLY191, GLY192 and 11 more

Residues it binds most

GLY 16, TYR 16, VAL 16, ASN 16, CYS 16, GLN 16, LYS 16, ALA 16, HIS 16, MET 16 (residue and the binding sites it lines).

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