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Ligand · GAY

GAY · 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl) phenyl]-7-methoxy-indolizine-1-carboxamide

GAY, 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl) phenyl]-7-methoxy-indolizine-1-carboxamide (C22 H19 F N4 O3, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
GAY
Formula
C22 H19 F N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

GAY in 2 structures; the first of them:

  • 7XM7 · Crystal Structure of the CBP in complex with the Y08188 · GAY A1201 · binds TYR1102, ASP1105, LEU1109, ARG1112, GLN1113, LEU1109, PRO1110, PHE1111 and 8 more
  • 7XM7 · Crystal structure of the cbp in complex with the Y08188 · GAY A1201 · binds TYR1102, ASP1105, LEU1109, ARG1112, GLN1113, LEU1109, PRO1110, PHE1111 and 8 more

Residues it binds most

LEU 4, TYR 4, GLN 4, VAL 4, ARG 4, ASN 4, ASP 4, ILE 4, PHE 4, PRO 4 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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