Reaction Details Report a problem with these data
Target
Protein arginine N-methyltransferase 1
Ligand
BDBM50598016
Substrate
n/a
Meas. Tech.
ChEMBL_2225431 (CHEMBL5138944)
IC50
11670±n/a nM
Citation
 Iannelli, G; Milite, C; Marechal, N; Cura, V; Bonnefond, L; Troffer-Charlier, N; Feoli, A; Rescigno, D; Wang, Y; Cipriano, A; Viviano, M; Bedford, MT; Cavarelli, J; Castellano, S; Sbardella, G Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach. J Med Chem 65:11574-11606 (2022) [PubMed] 
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:
BDBM50598016
Synonyms:
CHEMBL5170047
Type:
Small organic molecule
Emp. Form.:
C28H34N10O7
Mol. Mass.:
622.6324
SMILES:
COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r|
Structure:
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