Reaction Details
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Histone deacetylase 8
Ligand
BDBM50526254
Substrate
n/a
Meas. Tech.
ChEMBL_1899529 (CHEMBL4401644)
IC50
>1000±n/a nM
Citation
Shouksmith, AE; Shah, F; Grimard, ML; Gawel, JM; Raouf, YS; Geletu, M; Berger-Becvar, A; de Araujo, ED; Luchman, HA; Heaton, WL; Bakhshinyan, D; Adile, AA; Venugopal, C; O'Hare, T; Deininger, MW; Singh, SK; Konieczny, SF; Weiss, S; Fishel, ML; Gunning, PT Identification and Characterization of AES-135, a Hydroxamic Acid-Based HDAC Inhibitor That Prolongs Survival in an Orthotopic Mouse Model of Pancreatic Cancer. J Med Chem 62:2651-2665 (2019) [PubMed] Article More Info.:
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:
BDBM50526254
Synonyms:
CHEMBL4563091
Type:
Small organic molecule
Emp. Form.:
C30H20F9N3O5S
Mol. Mass.:
705.548
SMILES:
ONC(=O)c1ccc(cc1)N(Cc1ccc(cc1)C(F)(F)F)C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1
Structure:
