GL1X · GenesisL1 explorer

Ligand · 23Q

23Q · (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine

23Q, (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine (C22 H27 F N2 O2, 370.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
23Q
Formula
C22 H27 F N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

23Q in 2 structures; the first of them:

  • 3KWJ · Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4… · 23Q A1 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, TYR547, SER630 and 8 more
  • 3KWJ · Structure of human dpp-IV with (2S,3S,11BS)-3-(3-fluoromethyl-phenyl)… · 23Q A1 · binds ARG125, GLU205, GLU206, VAL207, SER209, PHE357, TYR547, SER630 and 8 more

Residues it binds most

TYR 4, VAL 4, GLU 4, SER 4, ARG 4, ASN 4, HIS 4, PHE 4, TRP 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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