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Ligand · M35

M35 · 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

M35, 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (C25 H20 F4 N4 O3 S, 532.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
M35
Formula
C25 H20 F4 N4 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

M35 in 4 structures; the first of them:

  • 3M35 · Trypsin in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulf… · M35 A301 · binds SER96, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 9 more
  • 3M36 · Factor XA in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsu… · M35 A301 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU146, PHE174, ASP189 and 12 more
  • 3M35 · Trypsin in complex with the inhibitor 1-[3-(aminomethyl)… · M35 A301 · binds SER96, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 9 more
  • 3M36 · Factor xa in complex with the inhibitor 1-[3-(aminomethyl)… · M35 A301 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU146, PHE174, ASP189 and 12 more

Residues it binds most

GLY 4, SER 4, CYS 4, GLN 4, GLU 2, ASP 4, THR 4, TRP 4, VAL 4, ALA 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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