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Target
Histone deacetylase 8
Ligand
BDBM50396044
Substrate
n/a
Meas. Tech.
ChEMBL_861419 (CHEMBL2174033)
IC50
750±n/a nM
Citation
 Olsen, CA; Montero, A; Leman, LJ; Ghadiri, MR Macrocyclic peptoid-Peptide hybrids as inhibitors of class I histone deacetylases. ACS Med Chem Lett 3:749-753 (2012) [PubMed]  Article 
Target
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
  
Inhibitor
Name:
BDBM50396044
Synonyms:
CHEMBL2170019
Type:
Small organic molecule
Emp. Form.:
C35H54N8O5
Mol. Mass.:
666.8539
SMILES:
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCN(CC(C)C)C(=O)CN(CCc2c[nH]c3ccccc23)C1=O |r,wU:13.13,9.8,(44.46,-8.52,;43.11,-7.79,;41.79,-8.59,;41.83,-10.13,;40.44,-7.86,;39.13,-8.66,;37.77,-7.92,;36.46,-8.73,;35.11,-7.99,;33.89,-8.94,;32.43,-8.52,;32.02,-7.01,;32.97,-5.79,;30.18,-6.98,;29.32,-5.7,;27.79,-5.64,;27,-4.32,;25.48,-4.36,;24.68,-3.04,;25.43,-1.64,;23.2,-3.05,;29.72,-8.45,;28.29,-8.98,;27.03,-8.09,;28.29,-10.5,;29.73,-10.95,;29.73,-12.43,;28.4,-13.19,;27.07,-12.42,;25.73,-13.19,;27.07,-10.88,;31.17,-12.93,;31.19,-14.47,;32.37,-12.43,;32.35,-10.95,;33.1,-12.27,;33.1,-13.81,;34.43,-14.59,;35.82,-13.97,;36.85,-15.12,;36.07,-16.46,;36.54,-17.91,;35.51,-19.04,;34,-18.72,;33.54,-17.25,;34.57,-16.12,;33.96,-10.62,;35.29,-11.66,)|
Structure:
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