Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM320017
Substrate
n/a
Meas. Tech.
CYP Inhibition and Pre-Incubation CYP Inhibition Assays
IC50
>20000±n/a nM
Citation
 Davenport, AJ; Bräuer, N; Fischer, OM; Rotgeri, A; Rottmann, A; Neagoe, I; Nagel, J; Godinho-Coelho, A; Klar, J 1,3-thiazol-2-yl substituted benzamides US Patent  US10174016 Publication Date 1/8/2019 
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:
BDBM320017
Synonyms:
Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-{[3- hydroxybutan-2- yl]oxy}-N-{(1R)-1- [2-(trifluoromethyl) pyrimidin-5-yl]ethyl} benzamide | US10174016, Example 184 | US10174016, Example 185 | US10174016, Example 187 | US10174016, Example 188 | US10202369, Example 188 | US10472354, Example 188
Type:
Small organic molecule
Emp. Form.:
C21H20ClF3N4O3S
Mol. Mass.:
500.922
SMILES:
CC(O)C(C)Oc1cc(cc(c1)-c1ncc(Cl)s1)C(=O)N[C@H](C)c1cnc(nc1)C(F)(F)F |r|
Structure:
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