Reaction Details | |||
---|---|---|---|
![]() | Report a problem with these data | ||
Target | Cytochrome P450 1A2 | ||
Ligand | BDBM50153594 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1561111 (CHEMBL3776835) | ||
IC50 | >50000±n/a nM | ||
Citation | ![]() | ||
More Info.: | Get all data from this article, Assay Method | ||
Cytochrome P450 1A2 | |||
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: |
| ||
BDBM50153594 | |||
n/a | |||
Name | BDBM50153594 | ||
Synonyms: | CHEMBL3774855 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H39N5O2 | ||
Mol. Mass. | 477.6416 | ||
SMILES | CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:16.18,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;6.27,-7.1,;5.55,-8.1,;7.5,-7.23,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)| | ||
Structure | ![]() |