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Ligand · 8US

8US · N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide

8US, N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (C17 H16 F N3 O4 S2, 409.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
8US
Formula
C17 H16 F N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

8US in 2 structures; the first of them:

  • 5UZ0 · Crystal structure of AICARFT bound to an antifolate · 8US B601 · binds ASN431, GLN449, SER450, ARG451, ILE452, PHE541, PRO543, PHE544 and 9 more
  • 5UZ0 · Crystal structure of aicarft bound to an antifolate · 8US B601 · binds ASN431, GLN449, SER450, ARG451, ILE452, PHE541, PRO543, PHE544 and 9 more

Residues it binds most

ASN 8, PHE 8, ASP 8, SER 8, ARG 8, GLN 8, GLY 8, ILE 8, LYS 8, MET 8 (residue and the binding sites it lines).

Found with

  • AMZ · Aminoimidazole 4-carboxamide ribonucleotide
  • MG · Magnesium ion

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