GL1X · GenesisL1 explorer

Ligand · JIL

JIL · 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine

JIL, 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine (C22 H28 N8 O5 S, 516.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
JIL
Formula
C22 H28 N8 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JIL in 2 structures; the first of them:

  • 4MIK · Crystal Structure of hPNMT in Complex with bisubstrate inhibitor… · JIL A301 · binds TYR27, PHE30, TYR35, ASN39, TYR40, ARG44, VAL53, LYS57 and 21 more
  • 4MIK · Crystal structure of hpnmt in complex with bisubstrate inhibitor (2R… · JIL A301 · binds TYR27, PHE30, TYR35, ASN39, TYR40, ARG44, VAL53, LYS57 and 21 more

Residues it binds most

VAL 4, TYR 4, ASP 4, PHE 4, ALA 4, ASN 4, GLY 4, ARG 4, CYS 4, GLU 4 (residue and the binding sites it lines).

Found with

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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