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Ligand · C1P

C1P · N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide

C1P, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide (C28 H39 N3 O5 S, 529.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its…

Component
C1P
Formula
C28 H39 N3 O5 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

C1P in 6 structures; the first of them:

  • 1NPZ · Crystal structures of Cathepsin S inhibitor complexes · C1P A468 · binds GLN19, GLY23, CYS25, TRP26, GLY62, LYS64, CYS66, ASN67 and 13 more
  • 3BWK · Crystal Structure of Falcipain-3 with Its inhibitor, K11017 · C1P A300 · binds GLN45, CYS48, GLY49, CYS51, TRP52, ASN87, CYS89, TYR90 and 14 more
  • 3S3Q · Structure of cathepsin B1 from Schistosoma mansoni in complex with K11017 inhibitor · C1P A1 · binds GLN94, GLY98, CYS100, TRP101, LEU139, CYS141, GLU142, GLY143 and 14 more
  • 1NPZ · Crystal structures of cathepsin S inhibitor complexes · C1P A468 · binds GLN19, GLY23, CYS25, TRP26, GLY62, LYS64, CYS66, ASN67 and 13 more
  • 3BWK · Crystal structure of falcipain-3 with its inhibitor, K11017 · C1P A300 · binds GLN45, CYS48, GLY49, CYS51, TRP52, ASN87, CYS89, TYR90 and 14 more
  • 3S3Q · Structure of cathepsin B1 from schistosoma mansoni in complex with K11017 inhibitor · C1P A1 · binds GLN94, GLY98, CYS100, TRP101, LEU139, CYS141, GLU142, GLY143 and 14 more

Residues it binds most

GLY 14, CYS 14, TRP 14, ASN 12, ALA 14, PHE 14, TYR 8, GLN 14, HIS 14, ILE 10 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion

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