| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
|---|
| Ligand | BDBM50593320 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2207926 (CHEMBL5120634) |
|---|
| Ki | 1000±n/a nM |
|---|
| Citation |  Chen, Y; Li, H; Yen, R; Heckrodt, TJ; McMurtrie, D; Singh, R; Taylor, V; Masuda, ES; Park, G; Payan, DG Optimization of Pyrimidine Compounds as Potent JAK1 Inhibitors and the Discovery of R507 as a Clinical Candidate. ACS Med Chem Lett13:1805-1811 (2022) [PubMed] Article |
|---|
| 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: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
|
|
|
|---|
| BDBM50593320 |
|---|
| n/a |
|---|
| Name | BDBM50593320 |
|---|
| Synonyms: | A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidancitinib |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H18FN5O3 |
|---|
| Mol. Mass. | 395.387 |
|---|
| SMILES | COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F |
|---|
| Structure | 
|
|---|
Search and Browse
