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Ligand · CPB

CPB · 2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4H-benzopyran-4-one

CPB, 2-(2-chloro-phenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-piperidin-4-yl)-4H-benzopyran-4-one (C21 H20 Cl N O5, 401.8 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its…

Component
CPB
Formula
C21 H20 Cl N O5
Class
ligand
Structures
10
PDB entries
5

Binding sites

CPB in 10 structures; the first of them:

  • 1C8K · Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site · CPB A940 · binds ASN282, ASP283, ASN284, PHE285, ILE380, GLU382, HIS571, GLU572 and 5 more
  • 1E1Y · Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site · CPB A940 · binds ASN282, ASN284, PHE285, LEU380, GLU382, HIS571, GLU572, ALA610 and 4 more
  • 3BLR · Crystal Structure of Human CDK9/cyclinT1 in complex with Flavopiridol · CPB A940 · binds ILE25, GLY26, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103 and 11 more
  • 3EBP · Glycogen Phosphorylase b/flavopiridol complex · CPB A940 · binds ASN282, ASN284, PHE285, LEU380, GLU382, HIS571, GLU572, ALA610 and 4 more
  • 4O71 · Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL · CPB A201 · binds TRP81, PRO82, GLN85, VAL87, LEU92, LEU94, TYR97, TYR139 and 7 more
  • 1C8K · Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site · CPB A940 · binds ASN282, ASP283, ASN284, PHE285, ILE380, GLU382, HIS571, GLU572 and 5 more
  • 1E1Y · Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site · CPB A940 · binds ASN282, ASN284, PHE285, LEU380, GLU382, HIS571, GLU572, ALA610 and 4 more
  • 3BLR · Crystal structure of human CDK9/CYCLINT1 in complex with flavopiridol · CPB A940 · binds ILE25, GLY26, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103 and 11 more
  • 3EBP · Glycogen phosphorylase B/FLAVOPIRIDOL complex · CPB A940 · binds ASN282, ASN284, PHE285, LEU380, GLU382, HIS571, GLU572, ALA610 and 4 more
  • 4O71 · Crystal structure of the first bromodomain of human BRD4 in complex with flavopiridol · CPB A201 · binds TRP81, PRO82, GLN85, VAL87, LEU92, LEU94, TYR97, TYR139 and 7 more

Residues it binds most

PHE 12, ASN 12, LEU 10, GLU 8, TYR 10, ALA 8, ASP 8, GLN 4, GLY 8, HIS 8 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • GLC · alpha-D-glucopyranose
  • PO3 · Phosphite ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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