Ligand · 3C3
3C3 · 4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine)
3C3, 4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine) (C9 H15 N9 O2, 281.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…
- Component
- 3C3
- Formula
- C9 H15 N9 O2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3C3 in 2 structures; the first of them:
- 2CGW · Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening · 3C3 A1272 · binds LEU15, GLY16, TYR20, VAL23, ALA36, LYS38, GLU55, VAL68 and 8 more
- 2CGW · Identification of chemically diverse CHK1 inhibitors by receptor-based virtual screening · 3C3 A1272 · binds LEU15, GLY16, TYR20, VAL23, ALA36, LYS38, GLU55, VAL68 and 8 more
Residues it binds most
GLU 2, LEU 2, TYR 2, VAL 2, ALA 2, ASP 2, CYS 2, GLY 2, LYS 2, SER 2 (residue and the binding sites it lines).
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