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Ligand · GVD

GVD · [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile

GVD, [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile (C22 H19 N7, 381.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its…

Component
GVD
Formula
C22 H19 N7
Class
ligand
Structures
8
PDB entries
4

Binding sites

GVD in 8 structures; the first of them:

  • 2UV2 · Crystal Structure Of Human Ste20-Like Kinase Bound To 4-(4-(5… · GVD A1316 · binds LEU40, GLY41, VAL48, ALA61, LYS63, ILE108, GLU109, PHE110 and 9 more
  • 2VN9 · Crystal Structure of Human Calcium Calmodulin dependent Protein Kinase II delta isoform… · GVD A1314 · binds LEU20, GLY21, LYS22, VAL28, ALA41, LYS43, VAL74, PHE90 and 7 more
  • 3GGF · Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an… · GVD A305 · binds ILE30, VAL38, ALA51, LYS53, THR83, MET99, GLU100, TYR101 and 9 more
  • 3SOC · Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with a… · GVD A1 · binds LYS198, ALA199, ARG200, VAL206, ALA217, LYS219, LEU247, THR267 and 11 more
  • 2UV2 · Crystal structure of human STE20-like kinase bound to 4-(4-(5… · GVD A1316 · binds LEU40, GLY41, VAL48, ALA61, LYS63, ILE108, GLU109, PHE110 and 9 more
  • 2VN9 · Crystal structure of human calcium calmodulin dependent protein kinase II delta isoform… · GVD A1314 · binds LEU20, GLY21, LYS22, VAL28, ALA41, LYS43, VAL74, PHE90 and 7 more
  • 3GGF · Crystal structure of human SERINE/THREONINE-protein kinase MST4 in complex with an… · GVD A305 · binds ILE30, VAL38, ALA51, LYS53, THR83, MET99, GLU100, TYR101 and 9 more
  • 3SOC · Crystal structure of activin receptor type-iia (ACVR2A) kinase domain in complex with a… · GVD A1 · binds LYS198, ALA199, ARG200, VAL206, ALA217, LYS219, LEU247, THR267 and 11 more

Residues it binds most

ALA 14, LEU 14, GLY 14, LYS 14, ASP 14, VAL 14, ASN 10, GLU 10, PHE 10, THR 10 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • CD · Cadmium ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • SCN · Thiocyanate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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