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Ligand · 16J

16J · [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone

16J, [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone (C15 H20 Cl N3 O2, 309.8 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
16J
Formula
C15 H20 Cl N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

16J in 2 structures; the first of them:

  • 4HMN · Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with… · 16J A402 · binds TYR24, LEU54, TYR55, TRP86, HIS117, SER118, MET120, ASN167 and 7 more
  • 4HMN · Crystal structure of human 17BETA-hydroxysteroid dehydrogenase type 5 in complex with… · 16J A402 · binds TYR24, LEU54, TYR55, TRP86, HIS117, SER118, MET120, ASN167 and 7 more

Residues it binds most

TYR 2, PHE 2, TRP 2, ASN 2, GLN 2, HIS 2, LEU 2, MET 2, PRO 2, SER 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • EDO · 1,2-ethanediol

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