Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase NSD3
Ligand
BDBM50555101
Substrate
n/a
Meas. Tech.
ChEMBL_2051300 (CHEMBL4705999)
Kd
170±n/a nM
Citation
 Jahnke, W; Erlanson, DA; de Esch, IJP; Johnson, CN; Mortenson, PN; Ochi, Y; Urushima, T Fragment-to-Lead Medicinal Chemistry Publications in 2019. J Med Chem 63:15494-15507 (2020) [PubMed]  Article 
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:
BDBM50555101
Synonyms:
CHEMBL4778517
Type:
Small organic molecule
Emp. Form.:
C22H21FN4
Mol. Mass.:
360.4273
SMILES:
Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12 |(17.67,-17.76,;18.28,-16.45,;17.13,-15.43,;17.44,-13.92,;16.29,-12.89,;16.6,-11.38,;18.9,-13.43,;20.05,-14.46,;21.51,-13.98,;19.73,-15.97,;20.88,-16.99,;22.38,-16.66,;23.16,-17.99,;22.13,-19.14,;22.46,-20.64,;20.72,-18.52,;19.39,-19.3,;18.06,-18.53,;16.73,-19.3,;16.73,-20.85,;18.06,-21.62,;18.06,-23.16,;19.39,-23.93,;19.39,-25.47,;20.73,-23.15,;20.73,-21.62,;19.4,-20.85,)|
Structure:
Search PDB for entries with ligand similarity: