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Target
Cytochrome P450 1A2
Ligand
BDBM50034220
Substrate
n/a
Meas. Tech.
ChEMBL_1761163 (CHEMBL4196410)
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 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
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:
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