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Target
Cytochrome P450 1A2
Ligand
BDBM361348
Substrate
n/a
Meas. Tech.
ChEMBL_1810584 (CHEMBL4310044)
IC50
>30000±n/a nM
Citation
 Bollinger, SR; Engers, DW; Panarese, JD; West, M; Engers, JL; Loch, MT; Rodriguez, AL; Blobaum, AL; Jones, CK; Thompson Gray, A; Conn, PJ; Lindsley, CW; Niswender, CM; Hopkins, CR Discovery, Structure-Activity Relationship, and Biological Characterization of a Novel Series of 6-((1 H-Pyrazolo[4,3- b]pyridin-3-yl)amino)-benzo[ d]isothiazole-3-carboxamides as Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 4 (mGlu J Med Chem 62:342-358 (2019) [PubMed]  Article 
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:
BDBM361348
Synonyms:
(6-((1H-pyrazolo[4,3-b] pyridin-3-yl)amino) benzo[d]isothiazol-3-yl) (4,4-difluoropiperidin-1-yl) methanone | US10221172, Example 5
Type:
Small organic molecule
Emp. Form.:
C19H16F2N6OS
Mol. Mass.:
414.432
SMILES:
FC1(F)CCN(CC1)C(=O)c1nsc2cc(Nc3n[nH]c4cccnc34)ccc12
Structure:
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