Reaction Details  Report a problem with these data
Target
Histone deacetylase 4
Ligand
BDBM50503704
Substrate
n/a
Meas. Tech.
ChEMBL_1811449 (CHEMBL4310909)
IC50
22±n/a nM
Citation
 Luckhurst, CA; Aziz, O; Beaumont, V; Bürli, RW; Breccia, P; Maillard, MC; Haughan, AF; Lamers, M; Leonard, P; Matthews, KL; Raphy, G; Stott, AJ; Munoz-Sanjuan, I; Thomas, B; Wall, M; Wishart, G; Yates, D; Dominguez, C Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor. Bioorg Med Chem Lett 29:83-88 (2019) [PubMed]  Article
Target
Name:
Histone deacetylase 4
Synonyms:
Cereblon/Histone deacetylase 4 | HD4 | HDAC4 | HDAC4_HUMAN | Histone acetylase 4(HDAC4) | Human HDAC4 | KIAA0288
Type:
Enzyme
Mol. Mass.:
119049.39
Organism:
Homo sapiens (Human)
Description:
P56524
Residue:
1084
Sequence:
MSSQSHPDGLSGRDQPVELLNPARVNHMPSTVDVATALPLQVAPSAVPMDLRLDHQFSLPVAEPALREQQLQQELLALKQKQQIQRQILIAEFQRQHEQLSRQHEAQLHEHIKQQQEMLAMKHQQELLEHQRKLERHRQEQELEKQHREQKLQQLKNKEKGKESAVASTEVKMKLQEFVLNKKKALAHRNLNHCISSDPRYWYGKTQHSSLDQSSPPQSGVSTSYNHPVLGMYDAKDDFPLRKTASEPNLKLRSRLKQKVAERRSSPLLRRKDGPVVTALKKRPLDVTDSACSSAPGSGPSSPNNSSGSVSAENGIAPAVPSIPAETSLAHRLVAREGSAAPLPLYTSPSLPNITLGLPATGPSAGTAGQQDAERLTLPALQQRLSLFPGTHLTPYLSTSPLERDGGAAHSPLLQHMVLLEQPPAQAPLVTGLGALPLHAQSLVGADRVSPSIHKLRQHRPLGRTQSAPLPQNAQALQHLVIQQQHQQFLEKHKQQFQQQQLQMNKIIPKPSEPARQPESHPEETEEELREHQALLDEPYLDRLPGQKEAHAQAGVQVKQEPIESDEEEAEPPREVEPGQRQPSEQELLFRQQALLLEQQRIHQLRNYQASMEAAGIPVSFGGHRPLSRAQSSPASATFPVSVQEPPTKPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQRTTSTAGRSLIEAQTCENEEAETVTAMASLSVGVKPAEKRPDEEPMEEEPPL
  
Inhibitor
Name:
BDBM50503704
Synonyms:
CHEMBL4472392
Type:
Small organic molecule
Emp. Form.:
C17H13FN2O2S
Mol. Mass.:
328.361
SMILES:
ONC(=O)C(c1ccc(cc1)-c1cncs1)c1ccccc1F
Structure:
Search PDB for entries with ligand similarity: