Reaction Details Report a problem with these data
Target
Histone deacetylase 6
Ligand
BDBM50591849
Substrate
n/a
Meas. Tech.
ChEMBL_2202277 (CHEMBL5114985)
IC50
121±n/a nM
Citation
 Federico, S; Khan, T; Fontana, A; Brogi, S; Benedetti, R; Sarno, F; Carullo, G; Pezzotta, A; Saraswati, AP; Passaro, E; Pozzetti, L; Papa, A; Relitti, N; Gemma, S; Butini, S; Pistocchi, A; Ramunno, A; Vincenzi, F; Varani, K; Tatangelo, V; Patrussi, L; Baldari, CT; Saponara, S; Gorelli, B; Lamponi, S; Valoti, M; Saccoccia, F; Giannaccari, M; Ruberti, G; Herp, D; Jung, M; Altucci, L; Campiani, G Azetidin-2-one-based small molecules as dual hHDAC6/HDAC8 inhibitors: Investigation of their mechanism of action and impact of dual inhibition profile on cell viability. Eur J Med Chem 238:0 (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:
BDBM50591849
Synonyms:
CHEMBL5181949
Type:
Small organic molecule
Emp. Form.:
C29H29N3O4
Mol. Mass.:
483.5583
SMILES:
ONC(=O)c1ccc(CC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccccc2)c2ccccc2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: