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Target
Protein arginine N-methyltransferase 5
Ligand
BDBM50585596
Substrate
n/a
Meas. Tech.
ChEMBL_2163197 (CHEMBL5048058)
IC50
4.00±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:
BDBM50585596
Synonyms:
CHEMBL5076766
Type:
Small organic molecule
Emp. Form.:
C23H19FN6O2
Mol. Mass.:
430.4344
SMILES:
Cn1ncc(c1-c1c(F)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.52,-17.1,;21.06,-16.94,;21.83,-15.6,;23.34,-15.93,;23.49,-17.46,;22.09,-18.08,;21.77,-19.59,;22.92,-20.63,;24.02,-20.27,;22.59,-22.14,;21.13,-22.61,;19.98,-21.58,;18.52,-22.05,;17.38,-21.02,;15.86,-20.7,;16.9,-19.56,;20.3,-20.07,;19.16,-19.04,;18.01,-18.01,;24.83,-18.23,;24.83,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.83,-17.46,;28.83,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.83,-20.54,;28.83,-22.08,)|
Structure:
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