Reaction Details Report a problem with these data
Target
Histone deacetylase 2
Ligand
BDBM50568213
Substrate
n/a
Meas. Tech.
ChEMBL_2104801 (CHEMBL4813304)
IC50
8.5±n/a nM
Citation
 Yu, W; Fells, J; Clausen, D; Liu, J; Klein, DJ; Christine Chung, C; Myers, RW; Wu, J; Wu, G; Howell, BJ; Barnard, RJO; Kozlowski, J Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg Med Chem Lett 47:0 (2021) [PubMed]  Article 
Target
Name:
Histone deacetylase 2
Synonyms:
Cereblon/Histone deacetylase 2 | HD2 | HDAC2 | HDAC2_HUMAN | Histone deacetylase 2 (HDAC2) | Human HDAC2
Type:
Chromatin regulator; hydrolase; repressor
Mol. Mass.:
55356.54
Organism:
Homo sapiens (Human)
Description:
Q92769
Residue:
488
Sequence:
MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYMEKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEEFSDSEDEGEGGRRNVADHKKGAKKARIEEDKKETEDKKTDVKEEDKSKDNSGEKTDTKGTKSEQLSNP
  
Inhibitor
Name:
BDBM50568213
Synonyms:
CHEMBL4869000
Type:
Small organic molecule
Emp. Form.:
C35H47N5O4
Mol. Mass.:
601.7788
SMILES:
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(27.19,-4.47,;25.79,-3.82,;24.56,-4.71,;24.69,-6.24,;23.15,-4.08,;21.91,-4.96,;20.51,-4.33,;19.26,-5.21,;17.87,-4.58,;16.62,-5.46,;16.76,-6.99,;18.16,-7.64,;19.41,-6.74,;18.31,-9.15,;19.19,-10.4,;17.67,-10.54,;16.29,-9.76,;14.94,-10.54,;14.93,-12.12,;16.3,-12.91,;17.68,-12.12,;13.54,-12.91,;12.05,-11.67,;10.16,-12.03,;8.16,-8.93,;4.6,-8.03,;3.64,-6.43,;4.15,-4.92,;5.72,-4.6,;6.21,-3.12,;7.73,-2.82,;8.75,-3.98,;10.24,-3.69,;11.27,-4.85,;10.77,-6.31,;9.28,-6.61,;8.26,-5.45,;6.74,-5.75,;6.23,-7.27,;12.76,-4.55,;13.4,-3.15,;14.93,-3.33,;15.22,-4.83,;13.9,-5.58,)|
Structure:
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