Reaction Details Report a problem with these data
Target
Protein arginine N-methyltransferase 1
Ligand
BDBM502124
Substrate
n/a
Meas. Tech.
PRMT1 Enzymatic Assay
IC50
57.0±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:
BDBM502124
Synonyms:
US11028083, Example 93a
Type:
Small organic molecule
Emp. Form.:
C21H36N4O2
Mol. Mass.:
376.5361
SMILES:
CNCCN(C)Cc1nn2CCOCc2c1[C@H]1CC[C@]2(CCCOC2)CC1 |r,wU:19.26,16.17,(4.1,-4.57,;5.44,-3.8,;5.44,-2.26,;4.1,-1.49,;4.1,.05,;5.44,.82,;2.77,.82,;1.44,.05,;1.99,-1.39,;.79,-2.35,;.71,-3.89,;-.66,-4.59,;-1.95,-3.75,;-1.87,-2.21,;-.5,-1.52,;-.1,-.03,;-1.44,.74,;-2.77,-.03,;-4.1,.74,;-4.1,2.28,;-4.1,3.82,;-5.44,4.59,;-6.77,3.82,;-6.77,2.28,;-5.44,1.51,;-2.77,3.05,;-1.44,2.28,)|
Structure:
Search PDB for entries with ligand similarity: