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Ligand · 4LN

4LN · N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide

4LN, N-[(2R)-10-hydroxy-2,7-dimethyl-1,2,3,4-tetrahydropyrido[1,2-b]indazol-2-yl]-4-(4H-1,2,4-triazol-4-yl)benzamide (C22 H22 N6 O2, 402.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
4LN
Formula
C22 H22 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4LN in 2 structures; the first of them:

  • 4Z0K · Rapid development of two Factor IXa inhibitors from Hit to Lead · 4LN A301 · binds ASN97, TYR99, HIS147, PHE174, ASP189, SER190, CYS191, GLN192 and 8 more
  • 4Z0K · Rapid development of two factor ixa inhibitors from hit to lead · 4LN A301 · binds ASN97, TYR99, HIS147, PHE174, ASP189, SER190, CYS191, GLN192 and 8 more

Residues it binds most

SER 2, CYS 2, GLU 2, ASN 2, ASP 2, GLN 2, GLY 2, HIS 2, ILE 2, PHE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid

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