GL1X · GenesisL1 explorer

Ligand · GWE

GWE · N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide

GWE, N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide (C23 H19 Cl F4 N2 O5 S, 546.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records…

Component
GWE
Formula
C23 H19 Cl F4 N2 O5 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

GWE in 6 structures; the first of them:

  • 3DLG · Crystal structure of hiv-1 reverse transcriptase in complex with GW564511. · GWE A999 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, VAL106 and 13 more
  • 3DM2 · Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511. · GWE A999 · binds PRO95, LEU100, LYS101, LYS102, ASN103, LYS104, SER105, VAL106 and 13 more
  • 3DMJ · CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH… · GWE A999 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, ALA106 and 13 more
  • 3DLG · Crystal structure of HIV-1 reverse transcriptase in complex with GW564511. · GWE A999 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, VAL106 and 13 more
  • 3DM2 · Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511. · GWE A999 · binds PRO95, LEU100, LYS101, LYS102, ASN103, LYS104, SER105, VAL106 and 13 more
  • 3DMJ · Crystal structure of HIV-1 V106A and Y181C mutant reverse transcriptase in complex with… · GWE A999 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, ALA106 and 13 more

Residues it binds most

LYS 6, TYR 6, PRO 6, VAL 6, LEU 6, GLY 6, HIS 6, PHE 6, SER 6, TRP 6 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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