Ligand · BAJ

BAJ · 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine

BAJ, 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine (C34 H45 F4 N5 O2 S, 663.8 g/mol), in the MolNFT…

Component: BAJ
Formula: C34 H45 F4 N5 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

BAJ in 2 structures; the first of them:

5QC5 · Crystal structure of human Cathepsin-S with bound ligand · BAJ A901 · binds TRP26, TYR61, GLY62, ASN63, LYS64, ASN67, GLY68, GLY69 and 13 more
5QC5 · Crystal structure of human cathepsin-S with bound ligand · BAJ A901 · binds TRP26, GLY62, LYS64, ASN67, GLY68, GLY69, PHE70, MET71 and 8 more

Residues it binds most

GLY 4, ASN 4, PHE 4, VAL 4, THR 3, HIS 4, LYS 4, MET 4, TRP 4, TYR 2 (residue and the binding sites it lines).

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