GL1X · GenesisL1 explorer

Ligand · 075

075 · (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

075, (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (C40 H45 N5 O9 S2, 803.9…

Component
075
Formula
C40 H45 N5 O9 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

075 in 2 structures; the first of them:

  • 2PK5 · Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I ) in Complex with KNI-10075 · 075 A900 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 2PK5 · Crystal structure of HIV-1 protease (Q7K, L33I, L63I ) in complex with kni-10075 · 075 A900 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more

Residues it binds most

ASP 2, GLY 2, ILE 2, VAL 2, LEU 2, ALA 2, PRO 2, ARG 2, PHE 2 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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