Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHistone deacetylase 6
LigandBDBM19153
Substrate/CompetitorBDBM19150
Meas. Tech.HDAC Enzyme Activity Assay
pH8±n/a
Temperature310.15±n/a K
IC50 897±40 nM
CommentsMCF7 cells growth inhibition, IC50=5.1 +/- 0.2 nM.HeLa nuclear HDACs inhibition, IC50=7.2 +/- 2.9 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:
BDBM19153
BDBM19150
NameBDBM19153
Synonyms:(1S,7R,10S,16E,21R)-7,21-bis(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, 8b
TypeSmall organic molecule
Emp. Form.C22H34N4O6S2
Mol. Mass.514.659
SMILESCC(C)[C@H]1NC(=O)C[C@@H]2OC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C |r,t:26|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: