Ligand · 9YS
9YS · 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide
9YS, 6-[(1,3-benzothiazol-6-yl)amino]-4-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-methylpyridine-3-carboxamide (C23 H23 N5 O2 S, 433.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…
- Component
- 9YS
- Formula
- C23 H23 N5 O2 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
9YS in 2 structures; the first of them:
- 5W85 · Crystal structure of irak-4 with a 4,6-diaminonicotinamide inhibitor (compound number 9) · 9YS A4000 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, VAL246, TYR262 and 7 more
- 5W85 · Crystal structure of irak-4 with a 4,6-diaminonicotinamide inhibitor (compound number 9) · 9YS A4000 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, VAL246, TYR262 and 7 more
Residues it binds most
VAL 4, GLY 4, MET 4, TYR 4, ALA 4, ASP 4, GLU 4, LEU 4, LYS 4, PRO 4 (residue and the binding sites it lines).
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