GL1X · GenesisL1 explorer

Ligand · B9S

B9S · (2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl) phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol

B9S, (2S)-1-(4,4-dimethylpiperidin-1-yl)-3-{3-[3-({[(4-fluorophenyl)methyl]amino}methyl)-4-(trifluoromethyl) phenyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propan-2-ol (C32 H41 F4 N5 O3 S, 651.8 g/mol), in the…

Component
B9S
Formula
C32 H41 F4 N5 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

B9S in 1 structure; the first of them:

  • 5QC1 · Crystal structure of human cathepsin-S with bound ligand · B9S A901 · binds TRP26, GLY62, LYS64, ASN67, GLY68, GLY69, PHE70, MET71 and 8 more

Residues it binds most

GLY 2, ASN 2, PHE 2, VAL 2, HIS 2, LYS 2, MET 2, TRP 2, THR 1 (residue and the binding sites it lines).

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