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Target
Protein arginine N-methyltransferase 1
Ligand
BDBM502143
Substrate
n/a
Meas. Tech.
PRMT1 Enzymatic Assay
IC50
37.0±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:
BDBM502143
Synonyms:
US11028083, Example 103b
Type:
Small organic molecule
Emp. Form.:
C22H35F5N4O
Mol. Mass.:
466.5315
SMILES:
CC[C@@]1(COCC(F)(F)F)CC[C@@H](CC1)c1c(CN(C)CCNC)nn2CC(F)(F)Cc12 |r,wU:2.1,wD:12.15,2.2,(-7.44,-.26,;-7.44,1.28,;-6.1,2.05,;-6.1,3.59,;-4.77,4.36,;-3.44,3.59,;-2.1,4.36,;-.77,5.13,;-1.33,3.03,;-2.87,5.69,;-4.77,2.82,;-3.44,2.05,;-3.44,.51,;-4.77,-.26,;-6.1,.51,;-2.1,-.26,;-.56,-.18,;.77,.59,;2.1,-.18,;2.1,-1.72,;3.44,.59,;4.77,-.18,;6.1,.59,;7.44,-.18,;-.01,-1.62,;-1.21,-2.59,;-1.61,-4.07,;-3.15,-4.15,;-3.15,-5.69,;-4.48,-4.92,;-3.7,-2.72,;-2.5,-1.75,)|
Structure:
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