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Ligand · 0M4

0M4 · N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide

0M4, N-(4-chloro-3-fluorophenyl)-N'-[(3aS,6aS)-hexahydrocyclopenta[c]pyrrol-3a(1H)-ylmethyl]ethanediamide (C16 H19 Cl F N3 O2, 339.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
0M4
Formula
C16 H19 Cl F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0M4 in 2 structures; the first of them:

  • 4DVW · Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with MAE-II-167 · 0M4 A512 · binds VAL255, SER256, THR257, ASP368, GLU370, ILE371, SER375, PHE376 and 9 more
  • 4DVW · Crystal structure of clade A/E 93TH057 HIV-1 GP120 core in complex with mae-II-167 · 0M4 A512 · binds VAL255, SER256, THR257, ASP368, GLU370, ILE371, SER375, PHE376 and 9 more

Residues it binds most

ILE 4, ASN 4, PHE 4, SER 4, GLY 4, TRP 4, ASP 4, GLU 4, MET 4, THR 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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