Target
Cytochrome P450 3A4
Ligand
BDBM50428877
Substrate
n/a
Meas. Tech.
ChEMBL_945618 (CHEMBL2344952)
IC50
1.000000±n/a nM
Citation
 Taygerly, JPMcGee, LRRubenstein, SMHouze, JBCushing, TDLi, YMotani, AChen, JLFrankmoelle, WYe, GLearned, MRJaen, JMiao, STimmermans, PBThoolen, MKearney, PFlygare, JBeckmann, HWeiszmann, JLindstrom, MWalker, NLiu, JBiermann, DWang, ZHagiwara, AIida, TAramaki, HKitao, YShinkai, HFurukawa, NNishiu, JNakamura, M Discovery of INT131: a selective PPAR¿ modulator that enhances insulin sensitivity. Bioorg Med Chem 21:979-92 (2013) [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:
BDBM50428877
Synonyms:
CHEMBL2338480
Type:
Small organic molecule
Emp. Form.:
C18H12Cl4N2O3S
Mol. Mass.:
478.176
SMILES:
Cc1cncc(Oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2Cl)c1
Structure:
Search PDB for entries with ligand similarity: