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Ligand · IH1

IH1 · 2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide

IH1, 2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide (C23 H29 Br N6 O5 S, 581.5 g/mol), in the MolNFT structures on GenesisL1…

Component
IH1
Formula
C23 H29 Br N6 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

IH1 in 2 structures; the first of them:

  • 1C4U · Selective non electrophilic thrombin inhibitors with cyclohexyl moieties. · IH1 2370 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 13 more
  • 1C4U · Selective non electrophilic thrombin inhibitors with cyclohexyl moieties. · IH1 2370 · binds HIS57, TYR60A, TRP60D, TRP96, GLU97A, ASN98, LEU99, ILE174 and 13 more

Residues it binds most

GLU 2, GLY 2, TRP 2, CYS 2, SER 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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