GL1X · GenesisL1 explorer

Ligand · 5SU

5SU · methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate

5SU, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate (C31 H26 Cl N7 O3, 580.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
5SU
Formula
C31 H26 Cl N7 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5SU in 2 structures; the first of them:

  • 5EXN · FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl… · 5SU A302 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more
  • 5EXN · Factor xia (C500S [C122S]) in complex with the inhibitor methyl ~{N}… · 5SU A302 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more

Residues it binds most

CYS 2, GLY 2, ASP 2, HIS 2, LEU 2, SER 2, TYR 2, ALA 2, ARG 2, ILE 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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