Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50034220
Substrate
n/a
Meas. Tech.
ChEMBL_1761164 (CHEMBL4196411)
IC50
>100000±n/a nM
Citation
 Linciano, P; Moraes, CB; Alcantara, LM; Franco, CH; Pascoalino, B; Freitas-Junior, LH; Macedo, S; Santarem, N; Cordeiro-da-Silva, A; Gul, S; Witt, G; Kuzikov, M; Ellinger, B; Ferrari, S; Luciani, R; Quotadamo, A; Costantino, L; Costi, MP Aryl thiosemicarbazones for the treatment of trypanosomatidic infections. Eur J Med Chem 146:423-434 (2018) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50034220
Synonyms:
2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-trimethylethanaminium hydroxide | CHEMBL125 | MILTEFOSINE | [2-(Hexadecyloxy-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium | hexadecyl 2-(trimethyl-lambda~5~-azanyl)ethyl hydrogen phosphate | hexadecyl 2-(trimethylammonio)ethyl phosphate | hexadecyloxy-2-trimethylammonioethylphosphorate | hexadecylphosphocholine | hexadecylphosphocholine, miltefosine | n-hexadecylphosphocholine
Type:
Small organic molecule
Emp. Form.:
C21H46NO4P
Mol. Mass.:
407.568
SMILES:
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: