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Target
Cytochrome P450 3A4
Ligand
BDBM50431381
Substrate
n/a
Meas. Tech.
ChEMBL_949749 (CHEMBL2350847)
IC50
>50000±n/a nM
Citation
 Padilla, F; Bhagirath, N; Chen, S; Chiao, E; Goldstein, DM; Hermann, JC; Hsu, J; Kennedy-Smith, JJ; Kuglstatter, A; Liao, C; Liu, W; Lowrie, LE; Luk, KC; Lynch, SM; Menke, J; Niu, L; Owens, TD; O-Yang, C; Railkar, A; Schoenfeld, RC; Slade, M; Steiner, S; Tan, YC; Villaseñor, AG; Wang, C; Wanner, J; Xie, W; Xu, D; Zhang, X; Zhou, M; Lucas, MC Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J Med Chem 56:1677-92 (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:
BDBM50431381
Synonyms:
FOSTAMATINIB | R-788 Free acid | R-935788 Free acid
Type:
Small organic molecule
Emp. Form.:
C23H26FN6O9P
Mol. Mass.:
580.4595
SMILES:
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(COP(O)(O)=O)c4n3)n2)cc(OC)c1OC
Structure:
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