Reaction Details Report a problem with these data
Target
Histone deacetylase 4
Ligand
BDBM345248
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
680±n/a nM
Citation
 Dominguez, C; Muñoz-Sanjuán, I; Maillard, M; Raphy, G; Haughan, AF; Luckhurst, CA; Jarvis, RE; Bürli, RW; Breccia, P; Wishart, G; Hughes, SJ; Allen, DR; Penrose, SD Histone deacetylase inhibitors and compositions and methods of use thereof US Patent  US9783488 Publication Date 10/10/2017 
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:
BDBM345248
Synonyms:
(1r,4r)-1-(3-fluoro-2-methylphenyl)-N-hydroxy-4-phenoxycyclohexanecarboxamide | US9783488, Example 101
Type:
Small organic molecule
Emp. Form.:
C20H22FNO3
Mol. Mass.:
343.392
SMILES:
Cc1c(F)cccc1[C@@]1(CC[C@@H](CC1)Oc1ccccc1)C(=O)NO |r,wD:8.8,11.15,(.45,-2.1,;-.89,-2.87,;-.89,-4.41,;.45,-5.18,;-2.22,-5.18,;-3.55,-4.41,;-3.55,-2.87,;-2.22,-2.1,;-2.22,-.56,;-2.75,.89,;-1.76,2.07,;-.24,1.8,;.29,.35,;-.7,-.83,;.75,2.98,;2.27,2.71,;3.26,3.89,;4.77,3.63,;5.3,2.18,;4.31,1,;2.79,1.27,;-3.74,-.83,;-4.26,-2.27,;-4.73,.35,;-6.24,.09,)|
Structure:
Search PDB for entries with ligand similarity: