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Target
Histone-lysine N-methyltransferase NSD3
Ligand
BDBM50608080
Substrate
n/a
Meas. Tech.
ChEMBL_2272496
IC50
203±n/a nM
Citation
 Vaidergorn, MM; da Silva Emery, F; Ganesan, A From Hit Seeking to Magic Bullets: The Successful Union of Epigenetic and Fragment Based Drug Discovery (EPIDD + FBDD). J Med Chem 64:13980-14010 (2021) [PubMed]
Target
Name:
Histone-lysine N-methyltransferase NSD3
Synonyms:
NSD3 | NSD3_HUMAN | Nuclear SET domain-containing protein 3 (NSD3) | WHSC1L1
Type:
Protein
Mol. Mass.:
161657.70
Organism:
Homo sapiens (Human)
Description:
Q9BZ95
Residue:
1437
Sequence:
MDFSFSFMQGIMGNTIQQPPQLIDSANIRQEDAFDNNSDIAEDGGQTPYEATLQQGFQYPATTEDLPPLTNGYPSSISVYETQTKYQSYNQYPNGSANGFGAVRNFSPTDYYHSEIPNTRPHEILEKPSPPQPPPPPSVPQTVIPKKTGSPEIKLKITKTIQNGRELFESSLCGDLLNEVQASEHTKSKHESRKEKRKKSNKHDSSRSEERKSHKIPKLEPEEQNRPNERVDTVSEKPREEPVLKEEAPVQPILSSVPTTEVSTGVKFQVGDLVWSKVGTYPWWPCMVSSDPQLEVHTKINTRGAREYHVQFFSNQPERAWVHEKRVREYKGHKQYEELLAEATKQASNHSEKQKIRKPRPQRERAQWDIGIAHAEKALKMTREERIEQYTFIYIDKQPEEALSQAKKSVASKTEVKKTRRPRSVLNTQPEQTNAGEVASSLSSTEIRRHSQRRHTSAEEEEPPPVKIAWKTAAARKSLPASITMHKGSLDLQKCNMSPVVKIEQVFALQNATGDGKFIDQFVYSTKGIGNKTEISVRGQDRLIISTPNQRNEKPTQSVSSPEATSGSTGSVEKKQQRRSIRTRSESEKSTEVVPKKKIKKEQVETVPQATVKTGLQKGASEISDSCKPLKKRSRASTDVEMTSSAYRDTSDSDSRGLSDLQVGFGKQVDSPSATADADVSDVQSMDSSLSRRGTGMSKKDTVCQICESSGDSLIPCEGECCKHFHLECLGLASLPDSKFICMECKTGQHPCFSCKVSGKDVKRCSVGACGKFYHEACVRKFPTAIFESKGFRCPQHCCSACSMEKDIHKASKGRMMRCLRCPVAYHSGDACIAAGSMLVSSYILICSNHSKRSSNSSAVNVGFCFVCARGLIVQDHSDPMFSSYAYKSHYLLNESNRAELMKLPMIPSSSASKKKCEKGGRLLCCESCPASFHPECLSIEMPEGCWNCNDCKAGKKLHYKQIVWVKLGNYRWWPAEICNPRSVPLNIQGLKHDLGDFPVFFFGSHDYYWVHQGRVFPYVEGDKSFAEGQTSINKTFKKALEEAAKRFQELKAQRESKEALEIEKNSRKPPPYKHIKANKVIGKVQIQVADLSEIPRCNCKPADENPCGLESECLNRMLQYECHPQVCPAGDRCQNQCFTKRLYPDAEIIKTERRGWGLRTKRSIKKGEFVNEYVGELIDEEECRLRIKRAHENSVTNFYMLTVTKDRIIDAGPKGNYSRFMNHSCNPNCETQKWTVNGDVRVGLFALCDIPAGMELTFNYNLDCLGNGRTECHCGADNCSGFLGVRPKSACASTNEEKAKNAKLKQKRRKIKTEPKQMHEDYCFQCGDGGELVMCDKKDCPKAYHLLCLNLTQPPYGKWECPWHQCDECSSAAVSFCEFCPHSFCKDHEKGALVPSALEGRLCCSEHDPMAPVSPEYWSKIKCKWESQDHGEEVKE
  
Inhibitor
Name:
BDBM50608080
Synonyms:
CHEMBL5277519
Type:
Small organic molecule
Emp. Form.:
C23H24N4
Mol. Mass.:
356.4635
SMILES:
Cc1ccc2c(ccnc2c1)-c1c(ncn1C)-c1c(C)cc(CN)cc1C |(-2.76,-5.83,;-2.37,-4.34,;-3.46,-3.27,;-3.08,-1.78,;-1.59,-1.37,;-1.19,.12,;.3,.52,;1.39,-.57,;.99,-2.05,;-.49,-2.45,;-.88,-3.94,;-2.27,1.21,;-2.11,2.74,;-3.52,3.37,;-4.55,2.23,;-3.78,.89,;-4.55,-.44,;-.78,3.51,;.56,2.75,;.56,1.21,;1.88,3.52,;1.88,5.06,;3.22,5.83,;4.55,5.06,;.55,5.83,;-.78,5.06,;-2.11,5.83,)|
Structure:
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