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Target
Histone deacetylase 4 [648-729,745-1057]
Ligand
BDBM257505
Substrate
US9505736, Boc-Lys(Tfa)-AMC
Meas. Tech.
Biochemical Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
1430±n/a nM
Comments
extracted
Citation
 Dominguez, C; Breccia, P; Luckhurst, CA; Bürli, RW; Stott, AJ Histone deacetylase inhibitors and compositions and methods of use thereof US Patent  US9505736 Publication Date 11/29/2016 
Target
Name:
Histone deacetylase 4 [648-729,745-1057]
Synonyms:
HDAC4 | HDAC4_HUMAN | Histone deacetylase 4 (HDAC4) | KIAA0288
Type:
Enzyme
Mol. Mass.:
43928.30
Organism:
Homo sapiens (Human)
Description:
amino acids 648-1057, replacement of amino acids 730-744 with 4 amino acid GSGS
Residue:
410
Sequence:
TKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNGSGSDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLIEAQTCENEEAETVT
  
Inhibitor
Name:
BDBM257505
Synonyms:
US9505736, (1R,2R,3R)-1-Fluoro-N-hydroxy-2-(4-(5- methylpyrimidin-2-yl)phenyl)-3- phenylcyclopropanecarboxamide
Type:
Small organic molecule
Emp. Form.:
C21H18FN3O2
Mol. Mass.:
363.3849
SMILES:
Cc1cnc(nc1)-c1ccc(cc1)[C@H]1[C@H](c2ccccc2)[C@]1(F)C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM25149
Synonyms:
Boc-L-Lys-MCA | tert-butyl N-[(1S)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]-5-(2,2,2-trifluoroacetamido)pentyl]carbamate | tert-butyl {(1S)-1-{[(4-methyl-2-oxo-2H-chromen-7-yl)amino]carbonyl}-5-[(trifluoroacetyl)amino]pentyl}carbamate
Type:
Small organic molecule
Emp. Form.:
C23H28F3N3O6
Mol. Mass.:
499.4801
SMILES:
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C)ccc12
Structure:
Search PDB for entries with ligand similarity: