Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 1A2 |
---|
Ligand | BDBM50092814 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1501736 (CHEMBL3587716) |
---|
IC50 | >10000±n/a nM |
---|
Citation | Letavic, MA; Bonaventure, P; Carruthers, NI; Dugovic, C; Koudriakova, T; Lord, B; Lovenberg, TW; Ly, KS; Mani, NS; Nepomuceno, D; Pippel, DJ; Rizzolio, M; Shelton, JE; Shah, CR; Shireman, BT; Young, LK; Yun, S Novel Octahydropyrrolo[3,4-c]pyrroles Are Selective Orexin-2 Antagonists: SAR Leading to a Clinical Candidate. J Med Chem58:5620-36 (2015) [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
|
|
|
BDBM50092814 |
---|
n/a |
---|
Name | BDBM50092814 |
Synonyms: | CHEMBL3586436 |
Type | Small organic molecule |
Emp. Form. | C21H22FN7O |
Mol. Mass. | 407.4441 |
SMILES | [H][C@@]12CN(C[C@]1([H])CN(C2)c1nc(C)cc(C)n1)C(=O)c1c(F)cccc1-n1nccn1 |r| |
Structure |
|