GL1X · GenesisL1 explorer

Ligand · D3A

D3A · (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid

D3A, (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid (C29 H31 Cl N2 O6, 539.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
D3A
Formula
C29 H31 Cl N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

D3A in 2 structures; the first of them:

  • 3V66 · HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)… · D3A A402 · binds SER53, PHE54, VAL69, TYR73, LEU76, ALA176, VAL179, GLY180 and 15 more
  • 3V66 · Human squalene synthase in complex with 2-(1-{2-[(4R,6S)-8-chloro-6… · D3A A402 · binds SER53, PHE54, VAL69, TYR73, LEU76, ALA176, VAL179, GLY180 and 15 more

Residues it binds most

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

Found with

  • PO4 · Phosphate ion

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