Ligand · 9AY

9AY · 4-methylbenzene-1,2-diamine

9AY, 4-methylbenzene-1,2-diamine (C7 H10 N2, 122.2 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component: 9AY
Formula: C7 H10 N2
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

9AY in 1 structure; the first of them:

5VEA · HIV protease (pr) with tl-3 in active site and 4-methylbenzene-1,2- diamine in exosite · 9AY A102 · binds PRO39, ASP60, GLN61, ILE62

Residues it binds most

ASP 1, GLN 1, ILE 1, PRO 1 (residue and the binding sites it lines).

Found with

3TL · benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
DMS · Dimethyl sulfoxide

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