Ligand · CRV

CRV · N-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-L-alaninamide

CRV, N-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]-L-alaninamide (C22 H26 F3 N3 O4 S, 485.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component: CRV
Formula: C22 H26 F3 N3 O4 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

CRV in 2 structures; the first of them:

2FRA · Human Cathepsin S with CRA-27934, a Nitrile Inhibitor · CRV A999 · binds GLN19, GLY23, ALA24, CYS25, TRP26, GLY59, ASN60, LYS61 and 14 more
2FRA · Human cathepsin S with cra-27934, a nitrile inhibitor · CRV A999 · binds GLN19, GLY23, ALA24, CYS25, TRP26, GLY59, ASN60, LYS61 and 14 more

Residues it binds most

GLY 4, ASN 4, PHE 4, VAL 4, ALA 4, CYS 4, GLN 4, HIS 4, LYS 4, MET 4 (residue and the binding sites it lines).

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