Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50546135
Substrate
n/a
Meas. Tech.
ChEMBL_2014368 (CHEMBL4667946)
IC50
>100000±n/a nM
Citation
 Meyers, MJ; Liu, J; Liu, Z; Ma, H; Dai, L; Adah, D; Zhao, S; Li, X; Liu, X; Lu, Y; Huang, Y; Tu, Z; Chen, X; Tortorella, MD 4-Aryl Pyrrolidines as Novel Orally Efficacious Antimalarial Agents. Part 2: 2-Aryl- ACS Med Chem Lett 10:966-971 (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:
BDBM50546135
Synonyms:
CHEMBL4759278
Type:
Small organic molecule
Emp. Form.:
C22H27F2N3O
Mol. Mass.:
387.4661
SMILES:
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(C)(F)F)cc1 |r|
Structure:
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