Ligand · 3B3
3B3 · (2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
3B3, (2S)-1-amino-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol (C12 H14 N4 O3, 262.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…
- Component
- 3B3
- Formula
- C12 H14 N4 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3B3 in 2 structures; the first of them:
- 2CGV · Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening · 3B3 A1273 · binds LEU15, GLY16, VAL23, ALA36, TYR86, CYS87, GLY90, GLU91 and 5 more
- 2CGV · Identification of chemically diverse CHK1 inhibitors by receptor-based virtual screening · 3B3 A1273 · binds LEU15, GLY16, VAL23, ALA36, TYR86, CYS87, GLY90, GLU91 and 5 more
Residues it binds most
GLU 2, GLY 2, LEU 2, ALA 2, ASN 2, ASP 2, CYS 2, SER 2, TYR 2, VAL 2 (residue and the binding sites it lines).
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