Ligand · 2CE
2CE · N-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide
2CE, N-[2-(2-carbamoylmethoxy-ethoxy)-ethyl]-2-[2-(4-chloro-phenylsulfanyl)-acetylamino]-3-(4-guanidino-phenyl)-propionamide (C24 H31 Cl N6 O5 S, 551.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…
- Component
- 2CE
- Formula
- C24 H31 Cl N6 O5 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
2CE in 2 structures; the first of them:
- 2BVS · Human thrombin complexed with fragment-based small molecules occupying the S1 pocket · 2CE H1246 · binds HIS57, TYR60A, TRP60D, LYS60F, LEU99, ASP189, ALA190, CYS191 and 12 more
- 2BVS · Human thrombin complexed with fragment-based small molecules occupying the S1 pocket · 2CE H1246 · binds HIS57, TYR60A, TRP60D, LYS60F, LEU99, ASP189, ALA190, CYS191 and 12 more
Residues it binds most
GLY 2, CYS 2, GLU 2, SER 2, TRP 2, TYR 2, ALA 2, ASP 2, HIS 2, LEU 2 (residue and the binding sites it lines).
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