| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2B6 |
|---|
| Ligand | BDBM50567991 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2104168 (CHEMBL4812671) |
|---|
| IC50 | >20000±n/a nM |
|---|
| Citation |  Palmer, MJ; Deng, X; Watts, S; Krilov, G; Gerasyuto, A; Kokkonda, S; El Mazouni, F; White, J; White, KL; Striepen, J; Bath, J; Schindler, KA; Yeo, T; Shackleford, DM; Mok, S; Deni, I; Lawong, A; Huang, A; Chen, G; Wang, W; Jayaseelan, J; Katneni, K; Patil, R; Saunders, J; Shahi, SP; Chittimalla, R; Angulo-Barturen, I; Jiménez-Díaz, MB; Wittlin, S; Tumwebaze, PK; Rosenthal, PJ; Cooper, RA; Aguiar, ACC; Guido, RVC; Pereira, DB; Mittal, N; Winzeler, EA; Tomchick, DR; Laleu, B; Burrows, JN; Rathod, PK; Fidock, DA; Charman, SA; Phillips, MA Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J Med Chem64:6085-6136 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2B6 |
|---|
| Name: | Cytochrome P450 2B6 |
|---|
| Synonyms: | CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6) |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 56289.75 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P20813 |
|---|
| Residue: | 491 |
|---|
| Sequence: | MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFRE
KYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNR
WKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIIC
SIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQE
INAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGT
ETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFS
DLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGAL
KKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKI
PPTYQIRFLPR
|
|
|
|---|
| BDBM50567991 |
|---|
| n/a |
|---|
| Name | BDBM50567991 |
|---|
| Synonyms: | CHEMBL4848632 | US11903936, Compound 2 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H19F3N6O |
|---|
| Mol. Mass. | 404.389 |
|---|
| SMILES | CC(NC(=O)c1[nH]cc(c1C)C1(CC1)c1ccc(nc1)C(F)(F)F)c1nc[nH]n1 |
|---|
| Structure | 
|
|---|
Search and Browse
