GL1X · GenesisL1 explorer

Ligand · 00K

00K · (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide

00K, (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide (C28 H44 N6 O4, 528.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
00K
Formula
C28 H44 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

00K in 2 structures; the first of them:

  • 1A46 · Thrombin complexed with hirugen and a beta-strand mimetic inhibitor · 00K H372 · binds LEU41, HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174 and 13 more
  • 1A46 · Thrombin complexed with hirugen and a beta-strand mimetic inhibitor · 00K H372 · binds LEU41, HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174 and 13 more

Residues it binds most

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

Found with

  • NA · Sodium ion

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