Ligand · 45U
45U · (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
45U, (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide (C20 H28 N4 O3, 372.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…
- Component
- 45U
- Formula
- C20 H28 N4 O3
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
45U in 4 structures; the first of them:
- 2ZDL · Exploring trypsin S3 pocket · 45U A501 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
- 2ZFQ · Exploring thrombin S3 pocket · 45U H501 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
- 2ZDL · Exploring trypsin S3 pocket · 45U A501 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
- 2ZFQ · Exploring thrombin S3 pocket · 45U H501 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
Residues it binds most
GLY 4, SER 4, CYS 4, TRP 4, ALA 4, ASN 4, ASP 4, GLN 2, GLU 2, HIS 4 (residue and the binding sites it lines).
Found with
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