GL1X · GenesisL1 explorer

Ligand · LQQ

LQQ · 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one

LQQ, 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one (C24 H29 N7 O2, 447.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with…

Component
LQQ
Formula
C24 H29 N7 O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

LQQ in 3 structures; the first of them:

  • 7N7O · Crystal Structure of PI5P4KIIAlpha complex with Palbociclib · LQQ A501 · binds ASN124, ASP125, PHE134, ILE143, LYS145, PRO176, THR196, ARG197 and 8 more
  • 5L2I · The X-ray co-crystal structure of human CDK6 and palbociclib. · LQQ A900 · binds ILE19, TYR24, VAL27, ALA41, VAL77, PHE98, GLU99, HIS100 and 10 more
  • 7N7O · Crystal structure of PI5P4KIIALPHA complex with palbociclib · LQQ A501 · binds ASP125, PHE134, ILE143, LYS145, PRO176, THR196, ARG197, ASN198 and 7 more

Residues it binds most

ASP 3, ILE 3, LEU 3, PHE 3, THR 3, VAL 3, ASN 3, ALA 1, ARG 2, GLN 1 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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