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Ligand · 00P

00P · (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide

00P, (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide (C22 H29 N5 O5 S, 475.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
00P
Formula
C22 H29 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

00P in 2 structures; the first of them:

  • 1D9I · Structure of thrombin complexed with selective non-electophilic inhibitors having… · 00P A380 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 11 more
  • 1D9I · Structure of thrombin complexed with selective non-electophilic inhibitors having… · 00P A380 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 11 more

Residues it binds most

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

Found with

  • NA · Sodium ion

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