Reaction Details Report a problem with these data
Target
Protein arginine N-methyltransferase 1
Ligand
BDBM502088
Substrate
n/a
Meas. Tech.
PRMT1 Enzymatic Assay
IC50
243±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:
BDBM502088
Synonyms:
US11028083, Example 72a
Type:
Small organic molecule
Emp. Form.:
C25H39N7O2
Mol. Mass.:
469.6229
SMILES:
CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CCC2(CCN(Cc3ccn(C)n3)C2=O)CC1 |r,wU:16.17,(7.96,-3.04,;6.62,-2.27,;5.29,-3.04,;3.96,-2.27,;2.62,-3.04,;2.62,-4.58,;1.29,-2.27,;-.05,-3.04,;.43,-4.5,;-.82,-5.41,;-.98,-6.94,;-2.38,-7.56,;-3.63,-6.66,;-3.47,-5.13,;-2.06,-4.5,;-1.59,-3.04,;-2.92,-2.27,;-4.25,-3.04,;-5.59,-2.27,;-5.59,-.73,;-7.05,-1.2,;-7.96,.04,;-7.05,1.29,;-7.53,2.75,;-6.5,3.9,;-4.99,3.58,;-4.22,4.91,;-5.25,6.06,;-4.93,7.56,;-6.66,5.43,;-5.59,.81,;-4.34,1.72,;-4.25,.04,;-2.92,-.73,)|
Structure:
Search PDB for entries with ligand similarity: