Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Cytochrome P450 3A4
Ligand
BDBM50570237
Substrate
n/a
Meas. Tech.
ChEMBL_2111417 (CHEMBL4820267)
IC50
>30000±n/a nM
Citation
Álvarez, RM; García, AB; Riesco-Fagundo, C; Martín, JI; Varela, C; Rodríguez Hergueta, A; González Cantalapiedra, E; Oyarzabal, J; Di Geronimo, B; Lorenzo, M; Albarrán, MI; Cebriá, A; Cebrián, D; Martínez-González, S; Blanco-Aparicio, C; Pastor, J Omipalisib inspired macrocycles as dual PI3K/mTOR inhibitors. Eur J Med Chem 211:0 (2021) [PubMed] Article More Info.:
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:
BDBM50570237
Synonyms:
CHEMBL4864407
Type:
Small organic molecule
Emp. Form.:
C26H20N6O4S
Mol. Mass.:
512.54
SMILES:
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
Structure:
