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Ligand · 1C1

1C1 · amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi nium

1C1, amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi nium (C19 H20 Cl F N5 O2 +1, 404.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
1C1
Formula
C19 H20 Cl F N5 O2 +1
Class
ligand
Structures
4
PDB entries
2

Binding sites

1C1 in 4 structures; the first of them:

  • 4I53 · Crystal structure of clade C1086 HIV-1 gp120 core in complex with DMJ-II-121 · 1C1 A501 · binds TRP112, VAL255, SER256, THR257, GLU370, ILE371, SER375, PHE376 and 13 more
  • 4I54 · Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121 · 1C1 A501 · binds TRP112, VAL255, SER256, THR257, GLU370, ILE371, SER375, PHE376 and 13 more
  • 4I53 · Crystal structure of clade C1086 HIV-1 GP120 core in complex with dmj- II-121 · 1C1 A501 · binds TRP112, VAL255, SER256, THR257, GLU370, ILE371, SER375, PHE376 and 13 more
  • 4I54 · Crystal structure of clade A/E 93TH057 HIV-1 GP120 H375S core in complex with dmj-II-121 · 1C1 A501 · binds TRP112, VAL255, SER256, THR257, GLU370, ILE371, SER375, PHE376 and 13 more

Residues it binds most

GLY 8, ASN 8, ILE 8, PHE 8, SER 8, TRP 8, GLU 8, MET 8, VAL 8, THR 8 (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
  • FMT · Formic acid

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