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Target
Lysine-specific demethylase 6B
Ligand
BDBM50436040
Substrate
n/a
Meas. Tech.
ChEMBL_964444 (CHEMBL2396333)
IC50
9500±n/a nM
Citation
 Xu, W; Podoll, JD; Dong, X; Tumber, A; Oppermann, U; Wang, X Quantitative analysis of histone demethylase probes using fluorescence polarization. J Med Chem 56:5198-202 (2013) [PubMed]  Article 
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:
BDBM50436040
Synonyms:
CHEMBL2392184
Type:
Small organic molecule
Emp. Form.:
C37H32N4O9S
Mol. Mass.:
708.737
SMILES:
NCc1ccc(CN(CCCCN(O)C(=O)C=CC([O-])=O)C(=S)Nc2ccc(c(c2)C([O-])=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1 |w:16.15,(37.34,-10.75,;37.34,-12.29,;36.01,-13.06,;36.02,-14.61,;34.68,-15.38,;33.36,-14.6,;32.02,-15.38,;30.69,-14.61,;29.36,-15.38,;29.36,-16.92,;28.03,-17.7,;26.69,-16.93,;25.36,-17.7,;25.36,-19.24,;24.03,-16.94,;24.02,-15.4,;22.69,-17.71,;21.36,-16.94,;20.03,-17.71,;18.69,-16.95,;20.03,-19.25,;30.69,-13.07,;32.02,-12.3,;29.35,-12.3,;29.35,-10.76,;28.01,-9.99,;28.01,-8.45,;29.35,-7.68,;30.68,-8.45,;30.68,-9.98,;32.01,-7.67,;33.34,-8.44,;33.1,-6.57,;29.34,-6.15,;30.67,-5.38,;32,-6.15,;33.34,-5.38,;33.33,-3.84,;34.66,-3.06,;32,-3.07,;30.68,-3.84,;29.34,-3.07,;28.01,-3.84,;26.69,-3.06,;25.36,-3.84,;24.02,-3.08,;25.36,-5.38,;26.69,-6.14,;28.02,-5.38,;33.34,-13.07,;34.67,-12.3,)|
Structure:
Search PDB for entries with ligand similarity: