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Ligand · BVM

BVM · 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid

BVM, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid (C36 H34 Cl N7 O7, 712.2 g/mol), in…

Component
BVM
Formula
C36 H34 Cl N7 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

BVM in 2 structures; the first of them:

  • 5QCN · FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-t… · BVM A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more
  • 5QCN · Factor xia in complex with the inhibitor 4-[[(1~{S})-2-[(~{E})-3-[5… · BVM A301 · binds ARG39, HIS40, LEU41, HIS57, TYR143, LEU147, ILE151, ASP189 and 15 more

Residues it binds most

GLY 2, CYS 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

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

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