Ligand · BJD
BJD · N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl) ethynyl]phenyl}methanamine
BJD, N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl) ethynyl]phenyl}methanamine (C36 H39 Cl2 N5 O3 S, 692.7 g/mol), in the MolNFT structures on…
- Component
- BJD
- Formula
- C36 H39 Cl2 N5 O3 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 2
Binding sites
BJD in 2 structures; the first of them:
- 5QCE · Crystal structure of human cathepsin-S with bound ligand · BJD A901 · binds GLY23, SER25, GLY62, LYS64, CYS66, ASN67, GLY68, GLY69 and 10 more
- 5QCF · Crystal structure of human cathepsin-S with bound ligand · BJD A901 · binds PHE70, MET71, THR73, ALA140, ARG141, PHE146, ASN161, VAL162 and 5 more
Residues it binds most
GLY 3, ASN 3, PHE 3, HIS 3, MET 3, THR 3, VAL 3, CYS 2, SER 2, ALA 1 (residue and the binding sites it lines).
Found with
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