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Ligand · WDW

WDW · 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone

WDW, 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone (C15 H16 N2 O, 240.3 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 residues it…

Component
WDW
Formula
C15 H16 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

WDW in 2 structures; the first of them:

  • 4WDW · 17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)metha · WDW A402 · binds TYR24, LEU54, TYR55, TRP86, HIS117, SER118, MET120, ASN167 and 1 more
  • 4WDW · 17BETA-HSD5 in complex with 3,6-dihydropyridin-1(2H)-YL(5-methyl-1H- indol-2-YL)METHANONE · WDW A402 · binds TYR24, LEU54, TYR55, TRP86, HIS117, SER118, MET120, ASN167 and 1 more

Residues it binds most

TYR 4, SER 4, TRP 4, ASN 4, HIS 4, LEU 4, MET 4, PHE 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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