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Ligand · 2LC

2LC · 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

2LC, 2-fluoro-6-[(3S)-tetrahydrofuran-3-ylamino]-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide (C22 H26 F N3 O3, 399.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
2LC
Formula
C22 H26 F N3 O3
Class
ligand
Structures
4
PDB entries
2

Binding sites

2LC in 4 structures; the first of them:

  • 4NH8 · Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and… · 2LC A301 · binds ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96, GLY97 and 13 more
  • 4NH9 · Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and… · 2LC A401 · binds ASN107, ALA108, ASP110, ALA111, LYS114, ASP149, VAL152, MET154 and 11 more
  • 4NH8 · Correlation between chemotype-dependent binding conformations of HSP90 ALPHA/BETA and… · 2LC A301 · binds ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96, GLY97 and 13 more
  • 4NH9 · Correlation between chemotype-dependent binding conformations of HSP90 ALPHA/BETA and… · 2LC A401 · binds ASN107, ALA108, ASP110, ALA111, LYS114, ASP149, VAL152, MET154 and 11 more

Residues it binds most

ASP 4, VAL 4, ALA 4, GLY 4, ASN 4, LEU 4, ILE 4, LYS 4, MET 4, PHE 4 (residue and the binding sites it lines).

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