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Ligand · R3A

R3A · 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide

R3A, 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide (C19 H25 Cl N6 O4 S, 469.0 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
R3A
Formula
C19 H25 Cl N6 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

R3A in 1 structure; the first of them:

  • 6VLV · Factor xia in complex with compound 11 · R3A A703 · binds HIS431, ALA475, GLU476, LEU524, ASP569, ALA570, CYS571, LYS572 and 9 more

Residues it binds most

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

Found with

  • FLC · Citrate anion

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