GL1X · GenesisL1 explorer

Ligand · KIQ

KIQ · (1S,6R)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine

KIQ, (1S,6R)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine (C19 H17 F6 N5 O, 445.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
KIQ
Formula
C19 H17 F6 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

KIQ in 2 structures; the first of them:

  • 2I78 · Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a… · KIQ B901 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, TYR585, SER630 and 9 more
  • 2I78 · Crystal structure of human dipeptidyl peptidase IV (dpp IV) complexed with abt-341, a… · KIQ B901 · binds ARG125, GLU205, GLU206, SER209, PHE357, TYR547, TYR585, SER630 and 9 more

Residues it binds most

TYR 2, ARG 2, GLU 2, SER 2, VAL 2, ASN 2, HIS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

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