Reaction Details Report a problem with these data
Target
Histone deacetylase 6
Ligand
BDBM50596019
Substrate
n/a
Meas. Tech.
ChEMBL_2218824 (CHEMBL5132158)
IC50
4.6±n/a nM
Citation
 Jiang, BE; Hu, J; Liu, H; Liu, Z; Wen, Y; Liu, M; Zhang, HK; Pang, X; Yu, LF Design, synthesis, and biological evaluation of indole-based hydroxamic acid derivatives as histone deacetylase inhibitors. Eur J Med Chem 227:0 (2022) [PubMed] 
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:
BDBM50596019
Synonyms:
CHEMBL5171482
Type:
Small organic molecule
Emp. Form.:
C26H34BrN3O3
Mol. Mass.:
516.47
SMILES:
ONC(=O)CCCCCCn1c(cc2ccc(Br)cc12)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:32:31:29:25.26.27,22:23:25.32.26:30.28.29,THB:32:26:23.31.30:29,27:26:23:30.28.29,27:28:23:25.32.26,22:23:29:25.26.27,(6.58,-5.95,;6.18,-4.46,;4.68,-4.06,;3.58,-5.16,;4.28,-2.57,;2.79,-2.17,;2.39,-.67,;.89,-.27,;.49,1.22,;-1,1.62,;-1.41,3.12,;-.48,4.38,;-1.36,5.6,;-2.87,5.13,;-4.2,5.91,;-5.55,5.13,;-5.55,3.57,;-6.83,2.82,;-4.21,2.81,;-2.87,3.58,;1.03,4.36,;1.8,5.66,;1.77,3.04,;3.29,3.03,;4.37,4.18,;5.56,3.74,;6.82,4.05,;6.83,5.43,;5.58,5.95,;4.36,5.52,;4.63,4.83,;4.64,3.41,;5.9,2.9,)|
Structure:
Search PDB for entries with ligand similarity: