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Ligand · 5SS

5SS · 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide

5SS, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide (C28 H31 N5 O2, 469.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
5SS
Formula
C28 H31 N5 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

5SS in 1 structure; the first of them:

  • 5EXL · FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~… · 5SS A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 12 more

Residues it binds most

CYS 1, ASP 1, GLY 1, HIS 1, SER 1, ALA 1, ARG 1, ILE 1, LEU 1, LYS 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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