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Target
Cytochrome P450 1A2
Ligand
BDBM50458163
Substrate
n/a
Meas. Tech.
ChEMBL_2046109 (CHEMBL4700808)
IC50
>40000±n/a nM
Citation
 Boy, KM; Guernon, JM; Zuev, DS; Xu, L; Zhang, Y; Shi, J; Marcin, LR; Higgins, MA; Wu, YJ; Krishnananthan, S; Li, J; Trehan, A; Smith, D; Toyn, JH; Meredith, JE; Burton, CR; Kimura, SR; Zvyaga, T; Zhuo, X; Lentz, KA; Grace, JE; Denton, R; Morrison, JS; Mathur, A; Albright, CF; Ahlijanian, MK; Olson, RE; Thompson, LA; Macor, JE Identification and Preclinical Evaluation of the Bicyclic Pyrimidine ?-Secretase Modulator BMS-932481. ACS Med Chem Lett 10:312-317 (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:
BDBM50458163
Synonyms:
CHEMBL4209316
Type:
Small organic molecule
Emp. Form.:
C24H24FN7O
Mol. Mass.:
445.4921
SMILES:
CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
Structure:
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