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Target
Lysine-specific demethylase 3A
Ligand
BDBM50151397
Substrate
n/a
Meas. Tech.
ChEMBL_1561041 (CHEMBL3776337)
IC50
9000±n/a nM
Citation
 Korczynska, M; Le, DD; Younger, N; Gregori-Puigjané, E; Tumber, A; Krojer, T; Velupillai, S; Gileadi, C; Nowak, RP; Iwasa, E; Pollock, SB; Ortiz Torres, I; Oppermann, U; Shoichet, BK; Fujimori, DG Docking and Linking of Fragments To Discover Jumonji Histone Demethylase Inhibitors. J Med Chem 59:1580-98 (2016) [PubMed]  Article 
Target
Name:
Lysine-specific demethylase 3A
Synonyms:
JHDM2A | JMJD1 | JMJD1A | JmjC domain-containing histone demethylation protein 2A | Jumonji domain-containing protein 1A | KDM3A | KDM3A_HUMAN | KIAA0742 | Lysine-specific demethylase 3A (KDM3A) | TSGA
Type:
PROTEIN
Mol. Mass.:
147368.22
Organism:
Homo sapiens (Human)
Description:
Q9Y4C1
Residue:
1321
Sequence:
MVLTLGESWPVLVGRRFLSLSAADGSDGSHDSWDVERVAEWPWLSGTIRAVSHTDVTKKDLKVCVEFDGESWRKRRWIEVYSLLRRAFLVEHNLVLAERKSPEISERIVQWPAITYKPLLDKAGLGSITSVRFLGDQQRVFLSKDLLKPIQDVNSLRLSLTDNQIVSKEFQALIVKHLDESHLLKGDKNLVGSEVKIYSLDPSTQWFSATVINGNPASKTLQVNCEEIPALKIVDPSLIHVEVVHDNLVTCGNSARIGAVKRKSSENNGTLVSKQAKSCSEASPSMCPVQSVPTTVFKEILLGCTAATPPSKDPRQQSTPQAANSPPNLGAKIPQGCHKQSLPEEISSCLNTKSEALRTKPDVCKAGLLSKSSQIGTGDLKILTEPKGSCTQPKTNTDQENRLESVPQALTGLPKECLPTKASSKAELEIANPPELQKHLEHAPSPSDVSNAPEVKAGVNSDSPNNCSGKKVEPSALACRSQNLKESSVKVDNESCCSRSNNKIQNAPSRKSVLTDPAKLKKLQQSGEAFVQDDSCVNIVAQLPKCRECRLDSLRKDKEQQKDSPVFCRFFHFRRLQFNKHGVLRVEGFLTPNKYDNEAIGLWLPLTKNVVGIDLDTAKYILANIGDHFCQMVISEKEAMSTIEPHRQVAWKRAVKGVREMCDVCDTTIFNLHWVCPRCGFGVCVDCYRMKRKNCQQGAAYKTFSWLKCVKSQIHEPENLMPTQIIPGKALYDVGDIVHSVRAKWGIKANCPCSNRQFKLFSKPASKEDLKQTSLAGEKPTLGAVLQQNPSVLEPAAVGGEAASKPAGSMKPACPASTSPLNWLADLTSGNVNKENKEKQPTMPILKNEIKCLPPLPPLSKSSTVLHTFNSTILTPVSNNNSGFLRNLLNSSTGKTENGLKNTPKILDDIFASLVQNKTTSDLSKRPQGLTIKPSILGFDTPHYWLCDNRLLCLQDPNNKSNWNVFRECWKQGQPVMVSGVHHKLNSELWKPESFRKEFGEQEVDLVNCRTNEIITGATVGDFWDGFEDVPNRLKNEKEPMVLKLKDWPPGEDFRDMMPSRFDDLMANIPLPEYTRRDGKLNLASRLPNYFVRPDLGPKMYNAYGLITPEDRKYGTTNLHLDVSDAANVMVYVGIPKGQCEQEEEVLKTIQDGDSDELTIKRFIEGKEKPGALWHIYAAKDTEKIREFLKKVSEEQGQENPADHDPIHDQSWYLDRSLRKRLHQEYGVQGWAIVQFLGDVVFIPAGAPHQVHNLYSCIKVAEDFVSPEHVKHCFWLTQEFRYLSQTHTNHEDKLQVKNVIYHAVKDAVAMLKASESSFGKP
  
Inhibitor
Name:
BDBM50151397
Synonyms:
CHEMBL3775272
Type:
Small organic molecule
Emp. Form.:
C21H18N2O5
Mol. Mass.:
378.378
SMILES:
COc1cccc(CC(=O)Nc2ccc(O)c(c2)-c2cc(ccn2)C(O)=O)c1
Structure:
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