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Ligand · 0KV

0KV · 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide

0KV, 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide (C23 H34 N6 O5 S, 506.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
0KV
Formula
C23 H34 N6 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

0KV in 4 structures; the first of them:

  • 1CA8 · Thrombin inhibitors with rigid tripeptidyl aldehydes · 0KV B248 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
  • 1YYY · Trypsin inhibitors with rigid tripeptidyl aldehydes · 0KV 11 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, GLY193, ASP194 and 10 more
  • 1CA8 · Thrombin inhibitors with rigid tripeptidyl aldehydes · 0KV B248 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
  • 1YYY · Trypsin inhibitors with rigid tripeptidyl aldehydes · 0KV 11 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, GLY193, ASP194 and 10 more

Residues it binds most

GLY 4, SER 4, CYS 4, ASP 4, GLU 2, TRP 4, HIS 4, LEU 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion

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