Reaction Details  Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50010462
Substrate
n/a
Meas. Tech.
ChEMBL_1353337 (CHEMBL3267839)
IC50
>100000±n/a nM
Citation
 Aoki, T; Hyohdoh, I; Furuichi, N; Ozawa, S; Watanabe, F; Matsushita, M; Sakaitani, M; Morikami, K; Takanashi, K; Harada, N; Tomii, Y; Shiraki, K; Furumoto, K; Tabo, M; Yoshinari, K; Ori, K; Aoki, Y; Shimma, N; Iikura, H Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning. ACS Med Chem Lett 5:309-14 (2014) [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:
BDBM50010462
Synonyms:
CHEBI:78825 | CHEMBL3264002 | US11147816, RO5126766-(CH5126766) | US11701360, R05126766 | US20230270730, Compound ref-5 | US20230382863, Compound avutometinib
Type:
Small organic molecule
Emp. Form.:
C21H18FN5O5S
Mol. Mass.:
471.462
SMILES:
CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F
Structure:
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