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Ligand · 6WH

6WH · (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide

6WH, (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide (C31 H38 N6 O3, 542.7 g/mol), in the MolNFT structures on GenesisL1…

Component
6WH
Formula
C31 H38 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

6WH in 2 structures; the first of them:

  • 5LH8 · Trypsin inhibitors for the treatment of pancreatitis - cpd 8 · 6WH A304 · binds PHE41, CYS42, HIS57, LEU99, TYR151, ASP189, SER190, CYS191 and 11 more
  • 5LH8 · Trypsin inhibitors for the treatment of pancreatitis - cpd 8 · 6WH A304 · binds PHE41, CYS42, HIS57, LEU99, TYR151, ASP189, SER190, CYS191 and 11 more

Residues it binds most

GLY 2, CYS 2, SER 2, ASP 2, GLN 2, HIS 2, LEU 2, PHE 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • DMS · Dimethyl sulfoxide

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