Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 6
LigandBDBM19152
Substrate/CompetitorBDBM19150
Meas. Tech.HDAC Enzyme Activity Assay
pH8±n/a
Temperature310.15±n/a K
IC50 881±138 nM
CommentsMCF7 cells growth inhibition, IC50=37 +/- 4 nM.HeLa nuclear HDACs inhibition, IC50=15 +/- 7 nM.
Citation Yurek-George, ACecil, ARMo, AHWen, SRogers, HHabens, FMaeda, SYoshida, MPackham, GGanesan, A The First Biologically Active Synthetic Analogues of FK228, the Depsipeptide Histone Deacetylase Inhibitor. J Med Chem50:5720-5726 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Histone deacetylase 6
Name:Histone deacetylase 6
Synonyms:HD6 | HDAC6_MOUSE | Hdac6 | Histone Deacetylase 6 (HDAC6) | Histone deacetylase | Histone deacetylase mHDA2
Type:PROTEIN
Mol. Mass.:125762.28
Organism:Mus musculus
Description:ChEMBL_1460074
Residue:1149
Sequence:
MTSTGQDSSTRQRKSRHNPQSPLQESSATLKRGGKKCAVPHSSPNLAEVKKKGKMKKLSQ
PAEEDLVVGLQGLDLNPETRVPVGTGLVFDEQLNDFHCLWDDSFPESPERLHAIREQLIL
EGLLGRCVSFQARFAEKEELMLVHSLEYIDLMETTQYMNEGELRVLAETYDSVYLHPNSY
SCACLATGSVLRLVDALMGAEIRNGMAVIRPPGHHAQHNLMDGYCMFNHLAVAARYAQKK
HRIQRVLIVDWDVHHGQGTQFIFDQDPSVLYFSIHRYEHGRFWPHLKASNWSTIGFGQGQ
GYTINVPWNQTGMRDADYIAAFLHILLPVASEFQPQLVLVAAGFDALHGDPKGEMAATPA
GFAHLTHLLMGLAGGKLILSLEGGYNLRALAKGVSASLHTLLGDPCPMLESCVVPCASAQ
TSIYCTLEALEPFWEVLERSVETQEEDEVEEAVLEEEEEEGGWEATALPMDTWPLLQNRT
GLVYDEKMMSHCNLWDNHHPETPQRILRIMCHLEEVGLAARCLILPARPALDSELLTCHS
AEYVEHLRTTEKMKTRDLHREGANFDSIYICPSTFACAKLATGAACRLVEAVLSGEVLNG
IAVVRPPGHHAEPNAACGFCFFNSVAVAARHAQIIAGRALRILIVDWDVHHGNGTQHIFE
DDPSVLYVSLHRYDRGTFFPMGDEGASSQVGRDAGIGFTVNVPWNGPRMGDADYLAAWHR
LVLPIAYEFNPELVLISAGFDAAQGDPLGGCQVTPEGYAHLTHLLMGLAGGRIILILEGG
YNLASISESMAACTHSLLGDPPPQLTLLRPPQSGALVSISEVIQVHRKYWRSLRLMKMED
KEECSSSRLVIKKLPPTASPVSAKEMTTPKGKVPEESVRKTIAALPGKESTLGQAKSKMA
KAVLAQGQSSEQAAKGTTLDLATSKETVGGATTDLWASAAAPENFPNQTTSVEALGETEP
TPPASHTNKQTTGASPLQGVTAQQSLQLGVLSTLELSREAEEAHDSEEGLLGEAAGGQDM
NSLMLTQGFGDFNTQDVFYAVTPLSWCPHLMAVCPIPAAGLDVSQPCKTCGTVQENWVCL
TCYQVYCSRYVNAHMVCHHEASEHPLVLSCVDLSTWCYVCQAYVHHEDLQDVKNAAHQNK
FGEDMPHSH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM19152
BDBM19150
NameBDBM19152
Synonyms:(1S,7R,10S,16E,21R)-21-methyl-7-(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone | FK228 Analogue, 8a
TypeSmall organic molecule
Emp. Form.C20H30N4O6S2
Mol. Mass.486.605
SMILESCC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)CNC1=O |r,t:13|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: