Reaction Details Report a problem with these data
Target
Protein arginine N-methyltransferase 1
Ligand
BDBM502092
Substrate
n/a
Meas. Tech.
PRMT1 Enzymatic Assay
IC50
74.0±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:
BDBM502092
Synonyms:
US11028083, Example 74a
Type:
Small organic molecule
Emp. Form.:
C21H36N4O
Mol. Mass.:
360.5367
SMILES:
CNCCN(C)Cc1nn2CCCc2c1[C@H]1CCC2(CCCOC2)CC1 |r,wU:15.16,(8.11,-.39,;6.77,.38,;5.44,-.39,;4.1,.38,;2.77,-.39,;2.77,-1.93,;1.44,.38,;.1,-.39,;.58,-1.86,;-.67,-2.76,;-1.14,-4.23,;-2.68,-4.23,;-3.16,-2.76,;-1.91,-1.86,;-1.44,-.39,;-2.77,.38,;-4.1,-.39,;-5.44,.38,;-5.44,1.92,;-6.77,1.15,;-8.11,1.92,;-8.11,3.46,;-6.77,4.23,;-5.44,3.46,;-4.1,2.69,;-2.77,1.92,)|
Structure:
Search PDB for entries with ligand similarity: