Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50575174
Substrate
n/a
Meas. Tech.
ChEMBL_2124317 (CHEMBL4833550)
EC50
2200±n/a nM
Citation
 Chuang, C; Collibee, S; Ashcraft, L; Wang, W; Vander Wal, M; Wang, X; Hwee, DT; Wu, Y; Wang, J; Chin, ER; Cremin, P; Zamora, J; Hartman, J; Schaletzky, J; Wehri, E; Robertson, LA; Malik, FI; Morgan, BP Discovery of Aficamten (CK-274), a Next-Generation Cardiac Myosin Inhibitor for the Treatment of Hypertrophic Cardiomyopathy. J Med Chem 64:14142-14152 (2021) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50575174
Synonyms:
Mavacamten
Type:
Small organic molecule
Emp. Form.:
C15H19N3O2
Mol. Mass.:
273.3303
SMILES:
CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: