Target
Cytochrome P450 3A4/3A5
Ligand
BDBM50014757
Substrate
n/a
Meas. Tech.
ChEMBL_830585 (CHEMBL2061440)
IC50
600±n/a nM
Citation
 Keenan, MAbbott, MJAlexander, PWArmstrong, TBest, WMBerven, BBotero, AChaplin, JHCharman, SAChatelain, Evon Geldern, TWKerfoot, MKhong, ANguyen, TMcManus, JDMorizzi, JRyan, EScandale, IThompson, RAWang, SZWhite, KL Analogues of fenarimol are potent inhibitors of Trypanosoma cruzi and are efficacious in a murine model of Chagas disease. J Med Chem 55:4189-204 (2012) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A4/3A5
Synonyms:
CYP3A-M
Type:
PROTEIN
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Cytochrome P450 3A5
Synonyms:
CP3A5_HUMAN | CYP3A5 | Cytochrome P450 3A5 | Cytochrome P450 3A5 (CYP3A5)
Type:
Protein
Mol. Mass.:
57118.00
Organism:
Homo sapiens (Human)
Description:
P20815
Residue:
502
Sequence:
MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNVLSYRQGLWKFDTECYKKYGKMWGTYEGQLPVLAITDPDVIRTVLVKECYSVFTNRRSLGPVGFMKSAISLAEDEEWKRIRSLLSPTFTSGKLKEMFPIIAQYGDVLVRNLRREAEKGKPVTLKDIFGAYSMDVITGTSFGVNIDSLNNPQDPFVESTKKFLKFGFLDPLFLSIILFPFLTPVFEALNVSLFPKDTINFLSKSVNRMKKSRLNDKQKHRLDFLQLMIDSQNSKETESHKALSDLELAAQSIIFIFAGYETTSSVLSFTLYELATHPDVQQKLQKEIDAVLPNKAPPTYDAVVQMEYLDMVVNETLRLFPVAIRLERTCKKDVEINGVFIPKGSMVVIPTYALHHDPKYWTEPEEFRPERFSKKKDSIDPYIYTPFGTGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLDTQGLLQPEKPIVLKVDSRDGTLSGE
  
Inhibitor
Name:
BDBM50014757
Synonyms:
(4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol : (Hydrochloride) | CHEMBL137192
Type:
Small organic molecule
Emp. Form.:
C18H13Cl2NO
Mol. Mass.:
330.208
SMILES:
OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: