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Ligand · IH2

IH2 · 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide

IH2, 2-(2,2-diphenyl-ethyl)-7-methyl-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo [1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide (C30 H36 N6 O3, 528.6 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
IH2
Formula
C30 H36 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

IH2 in 2 structures; the first of them:

  • 1C4V · Selective non electrophilic thrombin inhibitors with cyclohexyl moieties. · IH2 2370 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 1C4V · Selective non electrophilic thrombin inhibitors with cyclohexyl moieties. · IH2 2370 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

GLU 2, GLY 2, CYS 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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