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Target
Lysine-specific demethylase 6B
Ligand
BDBM613675
Substrate
n/a
Meas. Tech.
In Vitro Enzyme Inhibition Assay for JMJD3 Activity
IC50
550±n/a nM
Citation
 Chen, YK; Wallace, MB Histone demethylase inhibitors US Patent  US11731954 Publication Date 8/22/2023 
Target
Name:
Lysine-specific demethylase 6B
Synonyms:
JMJD3 | JmjC domain-containing protein 3 | Jumonji domain-containing protein 3 | KDM6B | KDM6B_HUMAN | KIAA0346 | Lysine demethylase 6B | Lysine-specific demethylase 6B | Lysine-specific demethylase 6B (KDM6B(JMJD3)) | Lysine-specific demethylase 6B (KDM6B)
Type:
Protein
Mol. Mass.:
176672.55
Organism:
Homo sapiens (Human)
Description:
O15054
Residue:
1643
Sequence:
MHRAVDPPGARAAREAFALGGLSCAGAWSSCPPHPPPRSAWLPGGRCSASIGQPPLPAPLPPSHGSSSGHPSKPYYAPGAPTPRPLHGKLESLHGCVQALLREPAQPGLWEQLGQLYESEHDSEEATRCYHSALRYGGSFAELGPRIGRLQQAQLWNFHTGSCQHRAKVLPPLEQVWNLLHLEHKRNYGAKRGGPPVKRAAEPPVVQPVPPAALSGPSGEEGLSPGGKRRRGCNSEQTGLPPGLPLPPPPLPPPPPPPPPPPPPLPGLATSPPFQLTKPGLWSTLHGDAWGPERKGSAPPERQEQRHSLPHPYPYPAPAYTAHPPGHRLVPAAPPGPGPRPPGAESHGCLPATRPPGSDLRESRVQRSRMDSSVSPAATTACVPYAPSRPPGLPGTTTSSSSSSSSNTGLRGVEPNPGIPGADHYQTPALEVSHHGRLGPSAHSSRKPFLGAPAATPHLSLPPGPSSPPPPPCPRLLRPPPPPAWLKGPACRAAREDGEILEELFFGTEGPPRPAPPPLPHREGFLGPPASRFSVGTQDSHTPPTPPTPTTSSSNSNSGSHSSSPAGPVSFPPPPYLARSIDPLPRPPSPAQNPQDPPLVPLTLALPPAPPSSCHQNTSGSFRRPESPRPRVSFPKTPEVGPGPPPGPLSKAPQPVPPGVGELPARGPRLFDFPPTPLEDQFEEPAEFKILPDGLANIMKMLDESIRKEEEQQQHEAGVAPQPPLKEPFASLQSPFPTDTAPTTTAPAVAVTTTTTTTTTTTATQEEEKKPPPALPPPPPLAKFPPPSQPQPPPPPPPSPASLLKSLASVLEGQKYCYRGTGAAVSTRPGPLPTTQYSPGPPSGATALPPTSAAPSAQGSPQPSASSSSQFSTSGGPWARERRAGEEPVPGPMTPTQPPPPLSLPPARSESEVLEEISRACETLVERVGRSATDPADPVDTAEPADSGTERLLPPAQAKEEAGGVAAVSGSCKRRQKEHQKEHRRHRRACKDSVGRRPREGRAKAKAKVPKEKSRRVLGNLDLQSEEIQGREKSRPDLGGASKAKPPTAPAPPSAPAPSAQPTPPSASVPGKKAREEAPGPPGVSRADMLKLRSLSEGPPKELKIRLIKVESGDKETFIASEVEERRLRMADLTISHCAADVVRASRNAKVKGKFRESYLSPAQSVKPKINTEEKLPREKLNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNLGLFSTKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTTIAKYAQYQASSFQESLQEEKESEDEESEEPDSTTGTPPSSAPDPKNHHIIKFGTNIDLSDAKRWKPQLQELLKLPAFMRVTSTGNMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWFAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYRFVQRPGDLVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLALERYEWNEVKNVKSIVPMIHVSWNVARTVKISDPDLFKMIKFCLLQSMKHCQVQRESLVRAGKKIAYQGRVKDEPAYYCNECDVEVFNILFVTSENGSRNTYLVHCEGCARRRSAGLQGVVVLEQYRTEELAQAYDAFTLAPASTSR
  
Inhibitor
Name:
BDBM613675
Synonyms:
3-{[((1S)-6-{methyl[4- 1,2,3,4-tetrahydroisoquinolyl) methyl]amino}pyridine-4- carboxylic acid; and 3-{[((1R)- 6-{methyl[4-(methyl ethyl)phenyl]amino}-1,2,3,4- tetrahydroisoquinolyl) methyl]amino}pyridine- 4-carboxylic acid | US11731954, Example 3A and 3B
Type:
Small organic molecule
Emp. Form.:
C26H30N4O2
Mol. Mass.:
430.542
SMILES:
CC(C)c1ccc(cc1)N(C)c1ccc2C(CNc3cnccc3C(O)=O)NCCc2c1
Structure:
Search PDB for entries with ligand similarity: