Reaction Details Report a problem with these data
Target
Histone deacetylase 6
Ligand
BDBM50377687
Substrate
n/a
Meas. Tech.
ChEMBL_479926 (CHEMBL929249)
Kd
4.6±n/a nM
Citation
 Mazitschek, R; Patel, V; Wirth, DF; Clardy, J Development of a fluorescence polarization based assay for histone deacetylase ligand discovery. Bioorg Med Chem Lett 18:2809-12 (2008) [PubMed]  Article 
Target
Name:
Histone deacetylase 6
Synonyms:
Cereblon/Histone deacetylase 6 | HD6 | HDAC6 | HDAC6_HUMAN | Histone deacetylase 6 (HDAC6) | Human HDAC6 | KIAA0901 | ORF Names:JM21
Type:
Chromatin regulator; hydrolase; repressor
Mol. Mass.:
131381.51
Organism:
Homo sapiens (Human)
Description:
Q9UBN7
Residue:
1215
Sequence:
MTSTGQDSTTTRQRRSRQNPQSPPQDSSVTSKRNIKKGAVPRSIPNLAEVKKKGKMKKLGQAMEEDLIVGLQGMDLNLEAEALAGTGLVLDEQLNEFHCLWDDSFPEGPERLHAIKEQLIQEGLLDRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLADTYDSVYLHPNSYSCACLASGSVLRLVDAVLGAEIRNGMAIIRPPGHHAQHSLMDGYCMFNHVAVAARYAQQKHRIRRVLIVDWDVHHGQGTQFTFDQDPSVLYFSIHRYEQGRFWPHLKASNWSTTGFGQGQGYTINVPWNQVGMRDADYIAAFLHVLLPVALEFQPQLVLVAAGFDALQGDPKGEMAATPAGFAQLTHLLMGLAGGKLILSLEGGYNLRALAEGVSASLHTLLGDPCPMLESPGAPCRSAQASVSCALEALEPFWEVLVRSTETVERDNMEEDNVEESEEEGPWEPPVLPILTWPVLQSRTGLVYDQNMMNHCNLWDSHHPEVPQRILRIMCRLEELGLAGRCLTLTPRPATEAELLTCHSAEYVGHLRATEKMKTRELHRESSNFDSIYICPSTFACAQLATGAACRLVEAVLSGEVLNGAAVVRPPGHHAEQDAACGFCFFNSVAVAARHAQTISGHALRILIVDWDVHHGNGTQHMFEDDPSVLYVSLHRYDHGTFFPMGDEGASSQIGRAAGTGFTVNVAWNGPRMGDADYLAAWHRLVLPIAYEFNPELVLVSAGFDAARGDPLGGCQVSPEGYAHLTHLLMGLASGRIILILEGGYNLTSISESMAACTRSLLGDPPPLLTLPRPPLSGALASITETIQVHRRYWRSLRVMKVEDREGPSSSKLVTKKAPQPAKPRLAERMTTREKKVLEAGMGKVTSASFGEESTPGQTNSETAVVALTQDQPSEAATGGATLAQTISEAAIGGAMLGQTTSEEAVGGATPDQTTSEETVGGAILDQTTSEDAVGGATLGQTTSEEAVGGATLAQTTSEAAMEGATLDQTTSEEAPGGTELIQTPLASSTDHQTPPTSPVQGTTPQISPSTLIGSLRTLELGSESQGASESQAPGEENLLGEAAGGQDMADSMLMQGSRGLTDQAIFYAVTPLPWCPHLVAVCPIPAAGLDVTQPCGDCGTIQENWVCLSCYQVYCGRYINGHMLQHHGNSGHPLVLSYIDLSAWCYYCQAYVHHQALLDVKNIAHQNKFGEDMPHPH
  
Inhibitor
Name:
BDBM50377687
Synonyms:
CHEMBL255686
Type:
Small organic molecule
Emp. Form.:
C41H42N8O7S
Mol. Mass.:
790.887
SMILES:
ONC(=O)CCCCCCNC(=O)c1ccc(NCc2cn(CCCNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccccc4oc4cc(=O)ccc34)nn2)cc1 |(33.95,-8.48,;32.41,-8.48,;31.64,-7.15,;32.4,-5.81,;30.1,-7.15,;29.32,-5.82,;27.78,-5.82,;27.01,-4.48,;25.47,-4.48,;24.7,-3.15,;23.16,-3.15,;22.39,-1.81,;23.16,-.48,;20.85,-1.81,;20.08,-3.15,;18.54,-3.15,;17.79,-1.81,;16.25,-1.81,;15.48,-.47,;13.94,-.47,;12.9,.67,;11.5,.03,;10.17,.8,;8.83,.02,;7.5,.79,;6.17,.02,;4.83,.78,;4.83,2.32,;3.5,.01,;3.5,-1.53,;2.18,-2.3,;2.17,-3.85,;3.51,-4.62,;4.84,-3.85,;4.84,-2.3,;6.18,-4.61,;6.18,-6.15,;7.51,-3.84,;3.48,-7.08,;4.8,-7.85,;6.13,-7.07,;7.46,-7.83,;7.47,-9.38,;6.13,-10.16,;4.79,-9.38,;3.47,-10.15,;2.14,-9.37,;.82,-10.14,;-.51,-9.37,;-1.84,-10.14,;-.51,-7.84,;.82,-7.08,;2.14,-7.84,;11.66,-1.49,;13.17,-1.81,;18.54,-.48,;20.08,-.48,)|
Structure:
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