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TargetHistone deacetylase 2
LigandBDBM50568211
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2104801 (CHEMBL4813304)
IC50 22±n/a nM
Citation Yu, WFells, JClausen, DLiu, JKlein, DJChristine Chung, CMyers, RWWu, JWu, GHowell, BJBarnard, RJOKozlowski, J Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg Med Chem Lett47:0 (2021) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Histone deacetylase 2
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:
MAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKA
TAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVA
GAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHH
GDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQ
IFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLG
GGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYM
EKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEE
FSDSEDEGEGGRRNVADHKKGAKKARIEEDKKETEDKKTDVKEEDKSKDNSGEKTDTKGT
KSEQLSNP
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  Blast E-value cutoff:
BDBM50568211
n/a
NameBDBM50568211
Synonyms:CHEMBL4876610
TypeSmall organic molecule
Emp. Form.C34H45N5O4
Mol. Mass.587.7522
SMILESCCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CC22CCN(CC2)CCCOCCn2ccc3cc(ccc3c2=O)-c2cnc1[nH]2 |r,wU:13.12,wD:9.8,(53.94,-55.95,;52.55,-55.3,;51.3,-56.19,;51.44,-57.72,;49.9,-55.56,;48.65,-56.45,;47.25,-55.81,;45.99,-56.69,;44.61,-56.06,;43.35,-56.95,;43.49,-58.47,;44.88,-59.12,;46.14,-58.23,;45.04,-60.64,;45.93,-61.89,;44.4,-62.03,;43.02,-61.24,;41.66,-62.03,;41.66,-63.61,;43.03,-64.41,;44.41,-63.62,;40.26,-64.41,;38.55,-63.17,;36.55,-63.64,;33.33,-59.89,;30.34,-58.69,;30.85,-56.4,;32.42,-56.08,;32.92,-54.6,;34.44,-54.29,;35.47,-55.46,;36.96,-55.18,;37.98,-56.33,;37.49,-57.79,;35.99,-58.09,;34.97,-56.93,;33.45,-57.24,;32.94,-58.76,;39.48,-56.03,;40.12,-54.63,;41.65,-54.8,;41.95,-56.31,;40.62,-57.06,)|
Structure
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