Reaction Details Report a problem with these data
Target
Histone deacetylase 5
Ligand
BDBM504543
Substrate
n/a
Meas. Tech.
Enzymatic Assay
IC50
5.00±n/a nM
Citation
 Walji, A; Berger, R; Stump, CA; Schlegel, KS; Mulhearn, JJ; Greshock, TJ; Wang, D; Fraley, ME; Jones, KG 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors US Patent  US11066396 Publication Date 7/20/2021 
Target
Name:
Histone deacetylase 5
Synonyms:
Antigen NY-CO-9 | HD5 | HDAC5 | HDAC5_HUMAN | Histone acetylase 5 (HDAC5) | Histone deacetylase 5 (HDAC5) | Human HDAC5 | KIAA0600
Type:
Enzyme
Mol. Mass.:
121968.61
Organism:
Homo sapiens (Human)
Description:
Q9UQL6
Residue:
1122
Sequence:
MNSPNESDGMSGREPSLEILPRTSLHSIPVTVEVKPVLPRAMPSSMGGGGGGSPSPVELRGALVGSVDPTLREQQLQQELLALKQQQQLQKQLLFAEFQKQHDHLTRQHEVQLQKHLKQQQEMLAAKQQQEMLAAKRQQELEQQRQREQQRQEELEKQRLEQQLLILRNKEKSKESAIASTEVKLRLQEFLLSKSKEPTPGGLNHSLPQHPKCWGAHHASLDQSSPPQSGPPGTPPSYKLPLPGPYDSRDDFPLRKTASEPNLKVRSRLKQKVAERRSSPLLRRKDGTVISTFKKRAVEITGAGPGASSVCNSAPGSGPSSPNSSHSTIAENGFTGSVPNIPTEMLPQHRALPLDSSPNQFSLYTSPSLPNISLGLQATVTVTNSHLTASPKLSTQQEAERQALQSLRQGGTLTGKFMSTSSIPGCLLGVALEGDGSPHGHASLLQHVLLLEQARQQSTLIAVPLHGQSPLVTGERVATSMRTVGKLPRHRPLSRTQSSPLPQSPQALQQLVMQQQHQQFLEKQKQQQLQLGKILTKTGELPRQPTTHPEETEEELTEQQEVLLGEGALTMPREGSTESESTQEDLEEEDEEDDGEEEEDCIQVKDEEGESGAEEGPDLEEPGAGYKKLFSDAQPLQPLQVYQAPLSLATVPHQALGRTQSSPAAPGGMKSPPDQPVKHLFTTGVVYDTFMLKHQCMCGNTHVHPEHAGRIQSIWSRLQETGLLSKCERIRGRKATLDEIQTVHSEYHTLLYGTSPLNRQKLDSKKLLGPISQKMYAVLPCGGIGVDSDTVWNEMHSSSAVRMAVGCLLELAFKVAAGELKNGFAIIRPPGHHAEESTAMGFCFFNSVAITAKLLQQKLNVGKVLIVDWDIHHGNGTQQAFYNDPSVLYISLHRYDNGNFFPGSGAPEEVGGGPGVGYNVNVAWTGGVDPPIGDVEYLTAFRTVVMPIAHEFSPDVVLVSAGFDAVEGHLSPLGGYSVTARCFGHLTRQLMTLAGGRVVLALEGGHDLTAICDASEACVSALLSVELQPLDEAVLQQKPNINAVATLEKVIEIQSKHWSCVQKFAAGLGRSLREAQAGETEEAETVSAMALLSVGAEQAQAAAAREHSPRPAEEPMEQEPAL
  
Inhibitor
Name:
BDBM504543
Synonyms:
(S)-5-(3-(Pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-1-(4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-2-one | US11066396, Example 17
Type:
Small organic molecule
Emp. Form.:
C20H13F3N6O3
Mol. Mass.:
442.3508
SMILES:
FC(F)(F)c1nc(no1)-c1ccc(cc1)N1[C@@H](CCC1=O)c1nc(no1)-c1ccccn1 |r|
Structure:
Search PDB for entries with ligand similarity: