Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 3A4
LigandBDBM50569645
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2109894 (CHEMBL4818569)
IC50 1600±n/a nM
Citation Huang, SYWang, XShen, DYChen, FZhang, GYZhang, ZLi, KJin, ZDu, DTang, YZ Design, synthesis and biological evaluation of novel pleuromutilin derivatives as potent anti-MRSA agents targeting the 50S ribosome. Bioorg Med Chem38:0 (2021) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 3A4
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:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50569645
n/a
NameBDBM50569645
Synonyms:CHEBI:44137 | Denagard | SO 14055 | SQ 14055 | SQ-14055 | Tiamulin
TypeSmall organic molecule
Emp. Form.C28H47NO4S
Mol. Mass.493.742
SMILES[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)CSCCN(CC)CC |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: