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Ligand · 170

170 · (2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2H)-yl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide

170, (2-[6-chloro-3-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-2-oxopyrazin-1(2H)-yl]-N-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]acetamide (C21 H17 Cl2 F2 N9 O3, 552.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
170
Formula
C21 H17 Cl2 F2 N9 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

170 in 2 structures; the first of them:

  • 1SL3 · crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor · 170 A1001 · binds HIS57, TYR60B, TRP60E, GLU97B, ASN98, LEU99, ILE174, ASP189 and 14 more
  • 1SL3 · Crystal structue of thrombin in complex with a potent P1 heterocycle- aryl based inhibitor · 170 A1001 · binds HIS57, TYR60B, TRP60E, GLU97B, ASN98, LEU99, ILE174, ASP189 and 14 more

Residues it binds most

GLU 2, GLY 2, CYS 2, SER 2, TRP 2, TYR 2, ALA 2, ASN 2, ASP 2, HIS 2 (residue and the binding sites it lines).

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