Reaction Details  Report a problem with these data
Cell Reactant:
Histone deacetylase 8 (HDAC8)
Syringe Reactant:
BDBM152693
Meas. Tech.:
Enzyme Inhibition
Entry Date.:
09/14/15
ΔG°:
-7.89±0.48 (kcal/mole)
pH:
7.5±0
Temperature:
25±0 (K)
ΔH° :
-6.65±n/a (kJ/mole)
ΔHobs :
-2.73±0.24 (kJ/mole)
ΔS° :
0±0 (kJ/mole-K)
Citation
 Singh, RK; Suzuki, T; Mandal, T; Balsubramanian, N; Haldar, M; Mueller, DJ; Strode, JA; Cook, G; Mallik, S; Srivastava, DK Thermodynamics of binding of structurally similar ligands to histone deacetylase 8 sheds light on challenges in the rational design of potent and isozyme-selective inhibitors of the enzyme. Biochemistry 53:7445-58 (2014) [PubMed]  Article
Cell React
Name:
Histone deacetylase 8
Synonyms:
HD8 | HDAC8 | HDAC8_HUMAN | HDACL1 | Histone deacetylase 8 (HDAC-8) | Human HDAC8
Type:
Enzyme
Mol. Mass.:
41749.60
Organism:
Homo sapiens (Human)
Description:
Q9BY41
Residue:
377
Sequence:
MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV
  
Syringe React
Name:
BDBM152693
Synonyms:
MH-12/4
Type:
Small organic molecule
Emp. Form.:
C23H24N2O3
Mol. Mass.:
376.4483
SMILES:
CC(NC(=O)CCCC1C=Cc2ccc3C=CCc4ccc1c2c34)C(=O)NO |c:9,15|
Structure:
Search PDB for entries with ligand similarity: