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TargetHistone deacetylase 5
LigandBDBM24624
Substrate/CompetitorBDBM19411
Meas. Tech.HDAC Enzyme Inhibition Assay
pH8±n/a
Temperature310.15±n/a K
IC50>10000±n/a nM
Citation Zhou, NMoradei, ORaeppel, SLeit, SFrechette, SGaudette, FPaquin, IBernstein, NBouchain, GVaisburg, AJin, ZGillespie, JWang, JFournel, MYan, PTTrachy-Bourget, MCKalita, ALu, ARahil, JMacLeod, ARLi, ZBesterman, JMDelorme, D Discovery of N-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an orally active histone deacetylase inhibitor. J Med Chem51:4072-5 (2008) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Histone deacetylase 5
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:
MNSPNESDGMSGREPSLEILPRTSLHSIPVTVEVKPVLPRAMPSSMGGGGGGSPSPVELR
GALVGSVDPTLREQQLQQELLALKQQQQLQKQLLFAEFQKQHDHLTRQHEVQLQKHLKQQ
QEMLAAKQQQEMLAAKRQQELEQQRQREQQRQEELEKQRLEQQLLILRNKEKSKESAIAS
TEVKLRLQEFLLSKSKEPTPGGLNHSLPQHPKCWGAHHASLDQSSPPQSGPPGTPPSYKL
PLPGPYDSRDDFPLRKTASEPNLKVRSRLKQKVAERRSSPLLRRKDGTVISTFKKRAVEI
TGAGPGASSVCNSAPGSGPSSPNSSHSTIAENGFTGSVPNIPTEMLPQHRALPLDSSPNQ
FSLYTSPSLPNISLGLQATVTVTNSHLTASPKLSTQQEAERQALQSLRQGGTLTGKFMST
SSIPGCLLGVALEGDGSPHGHASLLQHVLLLEQARQQSTLIAVPLHGQSPLVTGERVATS
MRTVGKLPRHRPLSRTQSSPLPQSPQALQQLVMQQQHQQFLEKQKQQQLQLGKILTKTGE
LPRQPTTHPEETEEELTEQQEVLLGEGALTMPREGSTESESTQEDLEEEDEEDDGEEEED
CIQVKDEEGESGAEEGPDLEEPGAGYKKLFSDAQPLQPLQVYQAPLSLATVPHQALGRTQ
SSPAAPGGMKSPPDQPVKHLFTTGVVYDTFMLKHQCMCGNTHVHPEHAGRIQSIWSRLQE
TGLLSKCERIRGRKATLDEIQTVHSEYHTLLYGTSPLNRQKLDSKKLLGPISQKMYAVLP
CGGIGVDSDTVWNEMHSSSAVRMAVGCLLELAFKVAAGELKNGFAIIRPPGHHAEESTAM
GFCFFNSVAITAKLLQQKLNVGKVLIVDWDIHHGNGTQQAFYNDPSVLYISLHRYDNGNF
FPGSGAPEEVGGGPGVGYNVNVAWTGGVDPPIGDVEYLTAFRTVVMPIAHEFSPDVVLVS
AGFDAVEGHLSPLGGYSVTARCFGHLTRQLMTLAGGRVVLALEGGHDLTAICDASEACVS
ALLSVELQPLDEAVLQQKPNINAVATLEKVIEIQSKHWSCVQKFAAGLGRSLREAQAGET
EEAETVSAMALLSVGAEQAQAAAAREHSPRPAEEPMEQEPAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM24624
BDBM19411
NameBDBM24624
Synonyms:CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide | US10227295, Compound MGCD0103 | US11377423, MGCD-0103 | US9409858, MGCD0103 | US9751832, MGCD0103 | US9956192, Compound MGCD0103
TypeSmall organic molecule
Emp. Form.C23H20N6O
Mol. Mass.396.4445
SMILESNc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
Structure
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