GL1X · GenesisL1 explorer

Ligand · D9A

D9A · N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid

D9A, N-{[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-3-yl]acetyl}-L-aspartic acid (C28 H33 Cl N2 O9, 577.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
D9A
Formula
C28 H33 Cl N2 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

D9A in 2 structures; the first of them:

  • 3Q2Z · Human Squalene synthase in complex with N-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1-neop… · D9A A700 · binds SER51, ARG52, SER53, PHE54, VAL69, PHE72, TYR73, LEU76 and 16 more
  • 3Q2Z · Human squalene synthase in complex with N-[(3R,5S)-7-chloro-5-(2,3… · D9A A700 · binds SER51, ARG52, SER53, PHE54, VAL69, PHE72, TYR73, LEU76 and 16 more

Residues it binds most

LEU 2, PHE 2, SER 2, VAL 2, ARG 2, GLY 2, TYR 2, ALA 2, ASN 2, CYS 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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