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Ligand · PV1

PV1 · (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone

PV1, (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone (C15 H12 Br N O3, 334.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
PV1
Formula
C15 H12 Br N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

PV1 in 2 structures; the first of them:

  • 4MP2 · Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1 · PV1 A501 · binds LEU252, ASN255, ALA256, ARG258, ALA259, GLU262, ASP290, GLY292 and 8 more
  • 4MP2 · Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA1 · PV1 A501 · binds LEU252, ASN255, ALA256, ARG258, ALA259, GLU262, ASP290, GLY292 and 8 more

Residues it binds most

LEU 2, ALA 2, GLY 2, ARG 2, ASN 2, ASP 2, GLU 2, SER 2, THR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • TLA · L(+)-tartaric acid

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