Reaction Details Report a problem with these data
Target
Protein arginine N-methyltransferase 5
Ligand
BDBM579105
Substrate
n/a
Meas. Tech.
ChEMBL_2163197 (CHEMBL5048058)
IC50
8.00±n/a nM
Citation
 Smith, CR; Aranda, R; Bobinski, TP; Briere, DM; Burns, AC; Christensen, JG; Clarine, J; Engstrom, LD; Gunn, RJ; Ivetac, A; Jean-Baptiste, R; Ketcham, JM; Kobayashi, M; Kuehler, J; Kulyk, S; Lawson, JD; Moya, K; Olson, P; Rahbaek, L; Thomas, NC; Wang, X; Waters, LM; Marx, MA Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5?MTA Complex for the Treatment of  J Med Chem 65:1749-1766 (2022) [PubMed]  Article 
Target
Name:
Protein arginine N-methyltransferase 5
Synonyms:
72 kDa ICln-binding protein | ANM5_HUMAN | HRMT1L5 | Histone-arginine N-methyltransferase PRMT5 | IBP72 | JBP1 | Jak-binding protein 1 | PRMT5 | PRMT5/MEP50 complex | Protein arginine N-methyltransferase 5 (PRMT5) | Protein arginine methyltransferase 5 (PRMT5) | SKB1 | SKB1 homolog | SKB1Hs | Shk1 kinase-binding protein 1 homolog
Type:
Enzyme
Mol. Mass.:
72679.99
Organism:
Homo sapiens (Human)
Description:
O14744
Residue:
637
Sequence:
MAAMAVGGAGGSRVSSGRDLNCVPEIADTLGAVAKQGFDFLCMPVFHPRFKREFIQEPAKNRPGPQTRSDLLLSGRDWNTLIVGKLSPWIRPDSKVEKIRRNSEAAMLQELNFGAYLGLPAFLLPLNQEDNTNLARVLTNHIHTGHHSSMFWMRVPLVAPEDLRDDIIENAPTTHTEEYSGEEKTWMWWHNFRTLCDYSKRIAVALEIGADLPSNHVIDRWLGEPIKAAILPTSIFLTNKKGFPVLSKMHQRLIFRLLKLEVQFIITGTNHHSEKEFCSYLQYLEYLSQNRPPPNAYELFAKGYEDYLQSPLQPLMDNLESQTYEVFEKDPIKYSQYQQAIYKCLLDRVPEEEKDTNVQVLMVLGAGRGPLVNASLRAAKQADRRIKLYAVEKNPNAVVTLENWQFEEWGSQVTVVSSDMREWVAPEKADIIVSELLGSFADNELSPECLDGAQHFLKDDGVSIPGEYTSFLAPISSSKLYNEVRACREKDRDPEAQFEMPYVVRLHNFHQLSAPQPCFTFSHPNRDPMIDNNRYCTLEFPVEVNTVLHGFAGYFETVLYQDITLSIRPETHSPGMFSWFPILFPIKQPITVREGQTICVRFWRCSNSKKVWYEWAVTAPVCSAIHNPTGRSYTIGL
  
Inhibitor
Name:
BDBM579105
Synonyms:
US11479551, Example 16-7 | US11479551, Example 16-8 | US11492351, Example 16-8
Type:
Small organic molecule
Emp. Form.:
C23H18ClFN6O2
Mol. Mass.:
464.879
SMILES:
Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)|
Structure:
Search PDB for entries with ligand similarity: