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Ligand · PV5

PV5 · 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2, 4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile

PV5, 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2, 4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile (C21 H16 F N7 O, 401.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
PV5
Formula
C21 H16 F N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

PV5 in 2 structures; the first of them:

  • 6YVI · EED in complex with a cyano-benzofuran · PV5 B501 · binds PHE97, ASN146, TYR148, ASN194, LYS211, LEU240, ASP310, CYS311 and 5 more
  • 6YVI · Eed in complex with a cyano-benzofuran · PV5 B501 · binds PHE97, ASN146, TYR148, ASN194, LYS211, LEU240, ASP310, CYS311 and 5 more

Residues it binds most

ARG 2, ASN 2, LYS 2, TYR 2, ASP 2, CYS 2, LEU 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • L9W · N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
  • CA · Calcium ion

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