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Ligand · 1UG

1UG · 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one

1UG, 2-Amino-5-(1-naphthylsulfanyl)-3,9-dihydro-4H-pyrimido[4,5-b]indol-4-one (C20 H14 N4 O S, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
1UG
Formula
C20 H14 N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1UG in 2 structures; the first of them:

  • 4KYA · Crystal structure of non-classical TS inhibitor 3 in complex with Toxoplasma gondii… · 1UG A702 · binds ILE402, TRP403, ASN406, LEU486, ASP513, LEU516, GLY517, PHE520 and 3 more
  • 4KYA · Crystal structure of non-classical ts inhibitor 3 in complex with toxoplasma gondii… · 1UG A702 · binds ILE402, TRP403, ASN406, LEU486, ASP513, LEU516, GLY517, PHE520 and 3 more

Residues it binds most

LEU 16, ALA 16, ASN 16, GLY 16, ILE 16, MET 16, PHE 16, TRP 16, ASP 14, TYR 14 (residue and the binding sites it lines).

Found with

  • FOL · Folic acid
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • UMP · 2'-deoxyuridine 5'-monophosphate

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