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Target
Histone-lysine N-methyltransferase NSD2
Ligand
BDBM568007
Substrate
n/a
Meas. Tech.
LC-MS/MS-Based NSD2 Enzymatic Assay
IC50
5.5±n/a nM
Citation
 Deng, H; Liu, J; Oyang, C; Wang, C; Xiao, Q; Xun, G; Zeng, H Piperidinyl-methyl-purineamines as NSD2 inhibitors and anti-cancer agents US Patent  US11420970 Publication Date 8/23/2022 
Target
Name:
Histone-lysine N-methyltransferase NSD2
Synonyms:
KIAA1090 | MMSET | NSD2 | NSD2_HUMAN | Nuclear SET domain-containing protein 2 (NSD2) | TRX5 | WHSC1
Type:
Protein
Mol. Mass.:
152327.31
Organism:
Homo sapiens (Human)
Description:
O96028
Residue:
1365
Sequence:
MEFSIKQSPLSVQSVVKCIKMKQAPEILGSANGKTPSCEVNRECSVFLSKAQLSSSLQEGVMQKFNGHDALPFIPADKLKDLTSRVFNGEPGAHDAKLRFESQEMKGIGTPPNTTPIKNGSPEIKLKITKTYMNGKPLFESSICGDSAADVSQSEENGQKPENKARRNRKRSIKYDSLLEQGLVEAALVSKISSPSDKKIPAKKESCPNTGRDKDHLLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYVGDQLHLNPQVAKEAGIAAESLGEMAESSGVSEEAAENPKSVREECIPMKRRRRAKLCSSAETLESHPDIGKSTPQKTAEADPRRGVGSPPGRKKTTVSMPRSRKGDAASQFLVFCQKHRDEVVAEHPDASGEEIEELLRSQWSLLSEKQRARYNTKFALVAPVQAEEDSGNVNGKKRNHTKRIQDPTEDAEAEDTPRKRLRTDKHSLRKRDTITDKTARTSSYKAMEAASSLKSQAATKNLSDACKPLKKRNRASTAASSALGFSKSSSPSASLTENEVSDSPGDEPSESPYESADETQTEVSVSSKKSERGVTAKKEYVCQLCEKPGSLLLCEGPCCGAFHLACLGLSRRPEGRFTCSECASGIHSCFVCKESKTDVKRCVVTQCGKFYHEACVKKYPLTVFESRGFRCPLHSCVSCHASNPSNPRPSKGKMMRCVRCPVAYHSGDACLAAGCSVIASNSIICTAHFTARKGKRHHAHVNVSWCFVCSKGGSLLCCESCPAAFHPDCLNIEMPDGSWFCNDCRAGKKLHFQDIIWVKLGNYRWWPAEVCHPKNVPPNIQKMKHEIGEFPVFFFGSKDYYWTHQARVFPYMEGDRGSRYQGVRGIGRVFKNALQEAEARFREIKLQREARETQESERKPPPYKHIKVNKPYGKVQIYTADISEIPKCNCKPTDENPCGFDSECLNRMLMFECHPQVCPAGEFCQNQCFTKRQYPETKIIKTDGKGWGLVAKRDIRKGEFVNEYVGELIDEEECMARIKHAHENDITHFYMLTIDKDRIIDAGPKGNYSRFMNHSCQPNCETLKWTVNGDTRVGLFAVCDIPAGTELTFNYNLDCLGNEKTVCRCGASNCSGFLGDRPKTSTTLSSEEKGKKTKKKTRRRRAKGEGKRQSEDECFRCGDGGQLVLCDRKFCTKAYHLSCLGLGKRPFGKWECPWHHCDVCGKPSTSFCHLCPNSFCKEHQDGTAFSCTPDGRSYCCEHDLGAASVRSTKTEKPPPEPGKPKGKRRRRRGWRRVTEGK
  
Inhibitor
Name:
BDBM568007
Synonyms:
US11420970, Example 209
Type:
Small organic molecule
Emp. Form.:
C23H27F4N3O
Mol. Mass.:
437.4736
SMILES:
N[C@@]1(CCCN(C1)c1ccc(nc1)-c1ccc(F)c(F)c1)C1CCC(CC1)OC(F)F |r,wU:1.0,(2.16,6.35,;.83,5.58,;-.51,6.35,;-1.84,5.58,;-1.84,4.04,;-.5,3.27,;.83,4.04,;-.5,1.73,;-1.83,.96,;-1.83,-.58,;-.49,-1.35,;.84,-.57,;.84,.97,;-.49,-2.89,;-1.82,-3.66,;-1.82,-5.2,;-.48,-5.97,;-.48,-7.51,;.85,-5.19,;2.19,-5.96,;.85,-3.65,;1.92,4.49,;1.52,3.01,;2.61,1.92,;4.1,2.32,;4.49,3.8,;3.4,4.89,;5.18,1.23,;6.67,1.63,;7.76,.54,;7.07,3.11,)|
Structure:
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