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Ligand · CL4

CL4 · N-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide

CL4, N-{3-[5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-allyl}-2,3-dihydroxy-5-nitro-benzamide (C19 H19 N7 O8, 473.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
CL4
Formula
C19 H19 N7 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

CL4 in 2 structures; the first of them:

  • 1JR4 · Catechol O-methyltransferase bisubstrate-inhibitor complex · CL4 A301 · binds TRP38, MET40, LYS46, GLY66, ALA67, TYR68, MET89, GLU90 and 17 more
  • 1JR4 · Catechol O-methyltransferase bisubstrate-inhibitor complex · CL4 A301 · binds TRP38, MET40, LYS46, GLY66, ALA67, TYR68, MET89, GLU90 and 17 more

Residues it binds most

MET 2, ALA 2, ASN 2, ASP 2, GLU 2, GLY 2, LYS 2, TRP 2, TYR 2, ARG 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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