Reaction Details Report a problem with these data
Target
Lysine-specific demethylase 2A
Ligand
BDBM50436040
Substrate
n/a
Meas. Tech.
ChEMBL_964446 (CHEMBL2396335)
IC50
135±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 2A
Synonyms:
AA1-1162 | CXXC8 | F-box and leucine-rich repeat protein 11 | FBL11 | FBL7 | FBXL11 | Homo sapiens lysine demethylase 2A (KDM2A) | JHDM1A | KDM2A | KDM2A_HUMAN | KIAA1004 | Lysine-specific demethylase 2A | Lysine-specific demethylase 2A (KDM2A) | NM_012308
Type:
Enzyme Catalytic Domain
Mol. Mass.:
132809.04
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
1162
Sequence:
MEPEEERIRYSQRLRGTMRRRYEDDGISDDEIEGKRTFDLEEKLHTNKYNANFVTFMEGKDFNVEYIQRGGLRDPLIFKNSDGLGIKMPDPDFTVNDVKMCVGSRRMVDVMDVNTQKGIEMTMAQWTRYYETPEEEREKLYNVISLEFSHTRLENMVQRPSTVDFIDWVDNMWPRHLKESQTESTNAILEMQYPKVQKYCLMSVRGCYTDFHVDFGGTSVWYHIHQGGKVFWLIPPTAHNLELYENWLLSGKQGDIFLGDRVSDCQRIELKQGYTFVIPSGWIHAVYTPTDTLVFGGNFLHSFNIPMQLKIYNIEDRTRVPNKFRYPFYYEMCWYVLERYVYCITNRSHLTKEFQKESLSMDLELNGLESGNGDEEAVDREPRRLSSRRSVLTSPVANGVNLDYDGLGKTCRSLPSLKKTLAGDSSSDCSRGSHNGQVWDPQCAPRKDRQVHLTHFELEGLRCLVDKLESLPLHKKCVPTGIEDEDALIADVKILLEELANSDPKLALTGVPIVQWPKRDKLKFPTRPKVRVPTIPITKPHTMKPAPRLTPVRPAAASPIVSGARRRRVRCRKCKACVQGECGVCHYCRDMKKFGGPGRMKQSCVLRQCLAPRLPHSVTCSLCGEVDQNEETQDFEKKLMECCICNEIVHPGCLQMDGEGLLNEELPNCWECPKCYQEDSSEKAQKRKMEESDEEAVQAKVLRPLRSCDEPLTPPPHSPTSMLQLIHDPVSPRGMVTRSSPGAGPSDHHSASRDERFKRRQLLRLQATERTMVREKENNPSGKKELSEVEKAKIRGSYLTVTLQRPTKELHGTSIVPKLQAITASSANLRHSPRVLVQHCPARTPQRGDEEGLGGEEEEEEEEEEEDDSAEEGGAARLNGRGSWAQDGDESWMQREVWMSVFRYLSRRELCECMRVCKTWYKWCCDKRLWTKIDLSRCKAIVPQALSGIIKRQPVSLDLSWTNISKKQLTWLVNRLPGLKDLLLAGCSWSAVSALSTSSCPLLRTLDLRWAVGIKDPQIRDLLTPPADKPGQDNRSKLRNMTDFRLAGLDITDATLRLIIRHMPLLSRLDLSHCSHLTDQSSNLLTAVGSSTRYSLTELNMAGCNKLTDQTLIYLRRIANVTLIDLRGCKQITRKACEHFISDLSINSLYCLSDEKLIQKIS
  
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: