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Ligand · YPK

YPK · [(3S)-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

YPK, [(3S)-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate (C26 H41 N7 O3, 499.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
YPK
Formula
C26 H41 N7 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

YPK in 1 structure; the first of them:

  • 8R9S · A soakable crystal form of human CDK7 in complex with AMP-PNP · YPK A404 · binds LEU18, VAL26, ALA39, ILE75, PHE91, ASP92, PHE93, MET94 and 8 more

Residues it binds most

ASP 2, LEU 2, PHE 2, VAL 2, ALA 2, ASN 2, CYS 2, GLU 2, ILE 2, MET 2 (residue and the binding sites it lines).

Found with

  • PE3 · 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol
  • PEG · Di(hydroxyethyl)ether

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