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Target
Protein arginine N-methyltransferase 5
Ligand
BDBM50585597
Substrate
n/a
Meas. Tech.
ChEMBL_2163198 (CHEMBL5048059)
IC50
>1000±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:
BDBM50585597
Synonyms:
CHEMBL5083379
Type:
Small organic molecule
Emp. Form.:
C23H19ClN6O2
Mol. Mass.:
446.889
SMILES:
Cn1ncc(c1-c1c(Cl)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.53,-17.11,;21.06,-16.95,;21.83,-15.61,;23.34,-15.94,;23.5,-17.46,;22.09,-18.09,;21.77,-19.6,;22.92,-20.64,;24.02,-20.27,;22.59,-22.14,;21.13,-22.62,;19.98,-21.58,;18.52,-22.06,;17.38,-21.03,;15.87,-20.71,;16.9,-19.57,;20.31,-20.08,;19.16,-19.05,;18.02,-18.02,;24.84,-18.23,;24.84,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.84,-17.46,;28.84,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.84,-20.54,;28.84,-22.09,)|
Structure:
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