Reaction Details Report a problem with these data
Target
Protein arginine N-methyltransferase 1
Ligand
BDBM502117
Substrate
n/a
Meas. Tech.
PRMT1 Enzymatic Assay
IC50
98.0±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:
BDBM502117
Synonyms:
US11028083, Example 88a
Type:
Small organic molecule
Emp. Form.:
C23H38F2N4O
Mol. Mass.:
424.5708
SMILES:
CNCCN(C)Cc1nn2CC(F)(F)Cc2c1[C@H]1CC[C@@]2(CC1)CCC(C)(C)CO2 |r,wU:17.18,20.32,(8.87,7.94,;7.54,8.71,;6.21,7.94,;4.87,8.71,;3.54,7.94,;3.54,6.4,;2.21,8.71,;.87,7.94,;1.42,6.5,;.23,5.53,;-.17,4.05,;-1.71,3.97,;-1.71,2.43,;-3.04,3.2,;-2.26,5.4,;-1.06,6.37,;-.67,7.86,;-2,8.63,;-3.33,7.86,;-4.67,8.63,;-4.67,10.17,;-3.33,10.94,;-2,10.17,;-4.67,11.71,;-6,12.48,;-7.33,11.71,;-8.87,11.71,;-8.1,13.04,;-7.33,10.17,;-6,9.4,)|
Structure:
Search PDB for entries with ligand similarity: