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Ligand · K95

K95 · (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

K95, (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]ami no}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (C37 H44 N4 O6 S2, 704.9 g/mol), in the MolNFT…

Component
K95
Formula
C37 H44 N4 O6 S2
Class
ligand
Structures
2
PDB entries
2

Binding sites

K95 in 2 structures; the first of them:

  • 3QVI · Crystal structure of KNI-10395 bound histo-aspartic protease (HAP) from Plasmodium… · K95 A329 · binds HIS32, ALA34, SER35, TRP39, LEU73, VAL120, LEU128, MET189 and 12 more
  • 5YID · Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum · K95 A401 · binds ILE34, ASP36, GLY38, SER39, MET77, ASN78, TYR79, VAL80 and 15 more

Residues it binds most

LEU 4, ILE 4, ALA 4, ASP 4, SER 4, VAL 4, GLU 3, PHE 4, MET 4, HIS 3 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • PG4 · Tetraethylene glycol
  • PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane

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