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Target
Cytochrome P450 1A2
Ligand
BDBM50531732
Substrate
n/a
Meas. Tech.
ChEMBL_1920761 (CHEMBL4423606)
IC50
>100000±n/a nM
Citation
 de Moura Sperotto, ND; Deves Roth, C; Rodrigues-Junior, VS; Ev Neves, C; Reisdorfer Paula, F; da Silva Dadda, A; Bergo, P; Freitas de Freitas, T; Souza Macchi, F; Moura, S; Duarte de Souza, AP; Campos, MM; Valim Bizarro, C; Santos, DS; Basso, LA; Machado, P Design of Novel Inhibitors of Human Thymidine Phosphorylase: Synthesis, Enzyme Inhibition, in Vitro Toxicity, and Impact on Human Glioblastoma Cancer. J Med Chem 62:1231-1245 (2019) [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:
BDBM50531732
Synonyms:
CHEMBL4455140
Type:
Small organic molecule
Emp. Form.:
C8H12IN3O4
Mol. Mass.:
341.1031
SMILES:
OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I
Structure:
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