GL1X · GenesisL1 explorer

Ligand · 006

006 · (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

006, (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (C35 H41 N3 O6 S, 631.8 g/mol), in the MolNFT structures on…

Component
006
Formula
C35 H41 N3 O6 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

006 in 6 structures; the first of them:

  • 3FNU · Crystal structure of KNI-10006 bound histo-aspartic protease (HAP) from Plasmodium… · 006 A329 · binds ALA10, VAL12, HIS32, SER35, TRP39, LEU73, ILE80, MET104 and 7 more
  • 3KDB · Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10006 · 006 B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3QS1 · Crystal structure of KNI-10006 complex of Plasmepsin I (PMI) from Plasmodium falciparum · 006 A330 · binds ILE30, ASP32, GLY34, SER35, MET73, ASN74, TYR75, VAL76 and 15 more
  • 3FNU · Crystal structure of kni-10006 bound histo-aspartic protease (hap) from plasmodium… · 006 A329 · binds ALA10, VAL12, HIS32, SER35, TRP39, LEU73, ILE80, MET104 and 7 more
  • 3KDB · Crystal structure of HIV-1 protease (Q7K, L33I, L63I) in complex with kni-10006 · 006 B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3QS1 · Crystal structure of kni-10006 complex of plasmepsin I (pmi) from plasmodium falciparum · 006 A330 · binds ILE30, ASP32, GLY34, SER35, MET73, ASN74, TYR75, VAL76 and 15 more

Residues it binds most

ILE 18, SER 16, PHE 16, VAL 18, GLY 18, LEU 18, ASP 10, ALA 12, TYR 16, THR 12 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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