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Ligand · TEI

TEI · 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid

TEI, 2-(3-cyano-4-isobutoxy-phenyl)-4-methyl-5-thiazole-carboxylic acid (C16 H16 N2 O3 S, 316.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
TEI
Formula
C16 H16 N2 O3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

TEI in 4 structures; the first of them:

  • 1N5X · Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound · TEI A3006 · binds LEU648, PHE649, ASN768, LYS771, GLU802, THR803, LEU873, SER876 and 11 more
  • 7ER9 · Crystal structure of human Biliverdin IX-beta reductase B with Febuxostat (TEI) · TEI A402 · binds ARG78, LEU81, SER111, ALA112, PHE113, TRP116, LEU125, HIS132 and 5 more
  • 1N5X · Xanthine dehydrogenase from bovine milk with inhibitor tei-6720 bound · TEI A3006 · binds LEU648, PHE649, ASN768, LYS771, GLU802, THR803, LEU873, SER876 and 11 more
  • 7ER9 · Crystal structure of human biliverdin IX-beta reductase B with febuxostat (tei) · TEI A402 · binds LEU81, SER111, ALA112, PHE113, TRP116, LEU125, HIS132, PRO152 and 3 more

Residues it binds most

PHE 8, LEU 8, ARG 8, ALA 8, SER 8, PRO 8, THR 5, HIS 4, VAL 6, ASN 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FES · Fe2/s2 (inorganic) cluster
  • MOS · Dioxothiomolybdenum(vi) ion
  • MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion

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