GL1X · GenesisL1 explorer

Ligand · ABB

ABB · (2S,4R)-1-acetyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide

ABB, (2S,4R)-1-acetyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-benzothiazolylcarbonyl)butyl]-4-hydroxy-2-pyrrolidinecarboxamide (C20 H26 N6 O4 S, 446.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
ABB
Formula
C20 H26 N6 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ABB in 2 structures; the first of them:

  • 1NC6 · Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a… · ABB A300 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, GLY193, ASP194 and 10 more
  • 1NC6 · Potent, small molecule inhibitors of human mast cell tryptase. anti- asthmatic action of… · ABB A300 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, GLY193, ASP194 and 10 more

Residues it binds most

GLY 2, SER 2, ASP 2, CYS 2, GLN 2, HIS 2, LEU 2, TRP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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