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Ligand · C5M

C5M · N-{(2R,3S)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide

C5M, N-{(2R,3S)-3-[(3-chlorobenzyl)amino]-2-hydroxy-4-phenylbutyl}-4-methoxy-2,3,6-trimethylbenzenesulfonamide (C27 H33 Cl N2 O4 S, 517.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
C5M
Formula
C27 H33 Cl N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

C5M in 2 structures; the first of them:

  • 2C8X · thrombin inhibitors · C5M B1251 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 15 more
  • 2C8X · Thrombin inhibitors · C5M B1251 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 15 more

Residues it binds most

GLU 2, GLY 2, TRP 2, CYS 2, SER 2, TYR 2, ALA 2, ASN 2, ASP 2, HIS 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide

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