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Target
Protein arginine N-methyltransferase 5
Ligand
BDBM50585595
Substrate
n/a
Meas. Tech.
ChEMBL_2163197 (CHEMBL5048058)
IC50
9.0±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:
BDBM50585595
Synonyms:
CHEMBL5076613
Type:
Small organic molecule
Emp. Form.:
C24H22N6O2
Mol. Mass.:
426.4705
SMILES:
Cc1cc(OC2CC2)c(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(25.55,-19.26,;24.41,-18.23,;22.94,-18.7,;21.8,-17.67,;20.33,-18.15,;19.19,-17.12,;17.68,-16.8,;18.71,-15.65,;22.12,-16.17,;20.97,-15.14,;19.84,-14.11,;23.59,-15.69,;24.72,-16.72,;23.9,-14.19,;25.31,-13.56,;25.15,-12.03,;23.64,-11.71,;22.87,-13.04,;21.34,-13.2,;26.64,-14.33,;26.64,-15.87,;27.97,-16.64,;29.31,-15.87,;29.31,-14.33,;27.97,-13.56,;30.64,-13.56,;30.64,-12.03,;31.97,-11.25,;31.97,-14.33,;31.97,-15.87,;30.64,-16.64,;30.64,-18.18,)|
Structure:
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