GL1X · GenesisL1 explorer

Ligand · D0R

D0R · N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide

D0R, N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide (C32 H45 N5 O3 S, 579.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
D0R
Formula
C32 H45 N5 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D0R in 2 structures; the first of them:

  • 3TJS · Crystal Structure of the complex between human cytochrome P450 3A4 and… · D0R A600 · binds PHE57, ARG105, PHE108, SER119, LEU210, ILE300, ILE301, PHE304 and 6 more
  • 3TJS · Crystal structure of the complex between human cytochrome P450 3A4 and… · D0R A600 · binds PHE57, ARG105, PHE108, SER119, LEU210, ILE300, ILE301, PHE304 and 6 more

Residues it binds most

ILE 2, PHE 2, ALA 2, ARG 2, CYS 2, GLY 2, LEU 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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