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Target
Protein arginine N-methyltransferase 1
Ligand
BDBM502110
Substrate
n/a
Meas. Tech.
PRMT1 Enzymatic Assay
IC50
78.0±n/a nM
Citation
 Di Francesco, ME; Jones, P; McAfoos, TJ Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases US Patent  US11028083 Publication Date 6/8/2021 
Target
Name:
Protein arginine N-methyltransferase 1
Synonyms:
2.1.1.319 | ANM1_HUMAN | HMT2 | HRMT1L2 | HRMT1L2 {ECO:0000303|PubMed:11097842 | Histone-arginine N-methyltransferase PRMT1 | IR1B4 | Interferon receptor 1-bound protein 4 | PRMT1 | Protein arginine N-methyltransferase 1 | Protein-arginine N-methyltransferase 1 | Synonyms=HMT2
Type:
PROTEIN
Mol. Mass.:
42451.61
Organism:
Homo sapiens
Description:
ChEMBL_100878
Residue:
371
Sequence:
MAAAEAANCIMENFVATLANGMSLQPPLEEVSCGQAESSEKPNAEDMTSKDYYFDSYAHFGIHEEMLKDEVRTLTYRNSMFHNRHLFKDKVVLDVGSGTGILCMFAAKAGARKVIGIECSSISDYAVKIVKANKLDHVVTIIKGKVEEVELPVEKVDIIISEWMGYCLFYESMLNTVLYARDKWLAPDGLIFPDRATLYVTAIEDRQYKDYKIHWWENVYGFDMSCIKDVAIKEPLVDVVDPKQLVTNACLIKEVDIYTVKVEDLTFTSPFCLQVKRNDYVHALVAYFNIEFTRCHKRTGFSTSPESPYTHWKQTVFYMEDYLTVKTGEEIFGTIGMRPNAKNNRDLDFTIDLDFKGQLCELSCSTDYRMR
  
Inhibitor
Name:
BDBM502110
Synonyms:
US11028083, Example 83b
Type:
Small organic molecule
Emp. Form.:
C23H37F5N4O
Mol. Mass.:
480.5581
SMILES:
CCOC[C@]1(CCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wU:4.4,wD:13.16,4.3,(-6.1,6.58,;-6.1,8.12,;-7.44,8.89,;-7.44,10.43,;-6.1,11.2,;-6.1,12.74,;-4.77,13.51,;-4.77,15.05,;-3.23,15.05,;-6.31,15.05,;-4.77,16.59,;-4.77,11.97,;-3.44,11.2,;-3.44,9.66,;-4.77,8.89,;-6.1,9.66,;-2.1,8.89,;-.56,8.97,;.77,9.74,;2.1,8.97,;2.1,7.43,;3.44,9.74,;4.77,8.97,;6.1,9.74,;7.44,8.97,;-.01,7.54,;-1.21,6.57,;-1.61,5.08,;-3.15,5,;-3.15,3.46,;-4.48,4.23,;-3.7,6.44,;-2.5,7.41,)|
Structure:
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