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Target
Histone deacetylase 1/3/4/6/7
Ligand
BDBM50047416
Substrate
n/a
Meas. Tech.
ChEMBL_1450204 (CHEMBL3375767)
IC50
3.6±n/a nM
Citation
 McCoull, W; Barton, P; Brown, AJ; Bowker, SS; Cameron, J; Clarke, DS; Davies, RD; Dossetter, AG; Ertan, A; Fenwick, M; Green, C; Holmes, JL; Martin, N; Masters, D; Moore, JE; Newcombe, NJ; Newton, C; Pointon, H; Robb, GR; Sheldon, C; Stokes, S; Morgan, D Identification, optimization, and pharmacology of acylurea GHS-R1a inverse agonists. J Med Chem 57:6128-40 (2014) [PubMed]  Article 
Target
Name:
Histone deacetylase 1/3/4/6/7
Synonyms:
Histone deacetylase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1450204
Components:
This complex has 7 components.
Component 1
Name:
Histone deacetylase
Synonyms:
Hdac2 | Hdac2 protein
Type:
PROTEIN
Mol. Mass.:
61427.65
Organism:
Rattus norvegicus
Description:
ChEMBL_104809
Residue:
546
Sequence:
ALRSRALPAPARRPAPGCPCCEGRRARRLPQPSCLAAGPRRARAAGGGAAARRRRPEPMAYSQGGGKKKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAVLELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALDCEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTPEYMEKIKQRLFENLRMLPHAPGVQMQAIPEDAVHEDSGDEDGEDPDKRISIRASDKRIACDEEFSDSEDEGEGGRRNVADHKKGAKKARIEEDKKEAEDKRTDVKEEDKSKDNSGEKTDTKGAKSEQLNNP
  
Component 2
Name:
Histone deacetylase 4
Synonyms:
HD4 | HDAC4_RAT | Hdac4 | Histone deacetylase 4
Type:
PROTEIN
Mol. Mass.:
118659.39
Organism:
Rattus norvegicus
Description:
ChEMBL_104809
Residue:
1077
Sequence:
MSSQSHPDGLSGRDQPVELLNPARVNHMPSTVDVATALPLQVAPAAVPMDLRLDHQFSLPLEPALREQQLQQELLALKQKQQIQRQILIAEFQRQHEQLSRQHEAQLHEHIKQQQEMLAMKHQQELLEHQRKLERHRQEQELEKQHREQKLQQLKNKEKGKESAVASTEVKMKLQEFVLNKKKALAHRNLNHCMSSDPRYWYGKTQHSSLDQSSPPQSGVSASYNHPVLGMYDAKDDFPLRKTASEPNLKLRSRLKQKVAERRSSPLLRRKDGPVATALKKRPLDVTDSACSSAPGSGPSSPNSSSGNVSTENGIAPTVPSTPAETSLAHRLVTREGSVAPLPLYTSPSLPNITLGLPATGPAAGAAGQQDAERLALPALQQRISLFPGTHLTPYLSTSPLERDGGAAHNPLLQHMVLLEQPPTQTPLVTGLGALPLHTQSLVGADRVSPSIHKLRQHRPLGRTQSAPLPQNAQALQHLVIQQQHQQFLEKHKQQFQQQQLHLSKMISKPSEPPRQPESHPEETEEELREHQALLDEPYLDRLPGQKEPSLAGVQVKQEPIESEEEEVEATREAEPSQRPATEQELLFRQQALLLEQQRIHQLRNYQASMEAAGIPVSFGSHRPLSRAQSSPASATFPMSVQEPPTKPRFTTGLVYDTLMLKHQCTCGNTNSHPEHAGRIQSIWSRLQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLNRQKLDSSLTSVFVRLPCGGVGVDSDTIWNEVHSSGAARLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGFCYFNSVAIAAKLLQQRLNVSKILIVDWDVHHGNGTQQAFYNDPNVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIANEFAPDVVLVSSGFDAVEGHPTPLGGYNLSAKCFGYLTKQLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELEPLPEKVLHQRPNANAVHSMEKVMGIHSEYWRCLQRLSPTVGHSLIEAQKCENEEAETVTAMASLSVGVKPAEKRSEEEPMEEEPPL
  
Component 3
Name:
Histone deacetylase 3
Synonyms:
HD3 | HDAC3_RAT | Hdac3 | Histone deacetylase 3
Type:
PROTEIN
Mol. Mass.:
48802.52
Organism:
Rattus norvegicus
Description:
ChEMBL_104809
Residue:
428
Sequence:
MAKTVAYFYDPDVGNFHYGAGHPMKPHRLALTHSLVLHYGLYKKMIVFKPYQASQHDMCRFHSEDYIDFLQRVSPTNMQGFTKSLNAFNVGDDCPVFPGLFEFCSRYTGASLQGATQLNNKICDIAINWAGGLHHAKKFEASGFCYVNDIVIGILELLKYHPRVLYIDIDIHHGDGVQEAFYLTDRVMTVSFHKYGNYFFPGTGDMYEVGAESGRYYCLNVPLRDGIDDQSYKHLFQPVISQVVDFYQPTCIVLQCGADSLGCDRLGCFNLSIRGHGECVEYVKSFNIPLLVLGGGGYTVRNVARCWTYETSLLVEEAISEELPYSEYFEYFAPDFTLHPDVSTRIENQNSRQYLDQIRQTIFENLKMLNHAPSVQIHDVPADLLTYDRTDEADAEERGPEENYSRPEAPNEFYDGDHDNDKESDVEI
  
Component 4
Name:
Histone deacetylase 6
Synonyms:
Hdac6 | Histone deacetylase 6
Type:
PROTEIN
Mol. Mass.:
16154.23
Organism:
Rattus norvegicus
Description:
ChEMBL_104809
Residue:
158
Sequence:
ETVGGATTDQCASVAATENSANQTTSGEEASGETESFGTSPSSNASKQTTGASPLHGAAAQQSPELGLSSTLELSSEAQEVQESEEGLLGEAAGGQDMNSLMLTQGFGDFNTQDVFYAVTPLSWCPHLMAVCPIPAAGLDVSQPCKTCGSFQENWVCL
  
Component 5
Name:
Histone deacetylase 7
Synonyms:
HD7 | HD7a | HDAC7_RAT | Hdac7 | Hdac7a | Histone deacetylase 7 | Histone deacetylase 7A
Type:
PROTEIN
Mol. Mass.:
26111.41
Organism:
Rattus norvegicus
Description:
ChEMBL_104809
Residue:
238
Sequence:
TPGSQPQPMDLRVGQRPTVEPPPEPALLTLQHPQRLHRHLFLAGLQQQQRSAEPMRLSMDPPLPELQGGQQEQELRQLLNKDKSKRSAVASSVVKQKLAEVILKKQQAALERTVHPSSPSIPYRTLEPLDTEGAARSVLSSFLPPVPSLPTEPPEHFPLRKTVSEPNLKLRYKPKKSLERRKNPLLRKESAPPSLRRRPAETLGDSSPSSSSTPASGCSSPNDSEHGPNPALGSEADG
  
Component 6
Name:
Histone deacetylase 1
Synonyms:
HDAC1_RAT | Hdac1
Type:
PROTEIN
Mol. Mass.:
55080.30
Organism:
Rattus norvegicus
Description:
ChEMBL_472921
Residue:
482
Sequence:
MAQTQGTKRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKANAEEMTKYHSDDYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVASAVKLNKQQTDIAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNYPLRDGIDDESYEAIFKPVMSKVMEMFQPSAVVLQCGSDSLSGDRLGCFNLTIKGHAKCVEFVKSFNLPMLMLGGGGYTIRNVARCWTYETAVALDTEIPNELPYNDYFEYFGPDFKLHISPSNMTNQNTNEYLEKIKQRLFENLRMLPHAPGVQMQAIPEDAIPEESGDEDEEDPDKRISICSSDKRIACEEEFSDSDEEGEGGRKNSSNFKKAKRVKTEDEKEKDPEEKKEVTEEEKTKEEKPEAKGVKEEVKMA
  
Component 7
Name:
Histone deacetylase
Synonyms:
Hdac5 | Hdac5 protein
Type:
PROTEIN
Mol. Mass.:
34754.92
Organism:
Rattus norvegicus
Description:
ChEMBL_104809
Residue:
328
Sequence:
MHSSSAVRMAVGCLVELAFKVAAGELKNGFAIIRPPGHHAEESTAMGFCFFNSVAITAKLLQQKLSVGKVLIVDWDIHHGNGTQQAFYDDPSVLYISLHRYDNGNFFPGSGAPEEVGGGPGVGYNVNVAWTGGVDPPIGDVEYLTAFRTVVMPIAHEFSPDVVLVSAGFDAVEGHLSPLGGYSVTARCFGHLTRQLMTLAGGRVVLALEGGHDLTAICDASEACVSALLSVELQPLDEAVLQQKPSINAVATLEKVIEIQSKHWSCVQRFATGLGCSLREAQTGEKEEAETVSAMALLSMGAEQAQAAATQEHSPRPAEEPMEQEPAL
  
Inhibitor
Name:
BDBM50047416
Synonyms:
CHEMBL3319215
Type:
Small organic molecule
Emp. Form.:
C23H26ClN5O4S2
Mol. Mass.:
536.067
SMILES:
CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1
Structure:
Search PDB for entries with ligand similarity: