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Target
Cytochrome P450 1A2
Ligand
BDBM50426410
Substrate
n/a
Meas. Tech.
ChEMBL_940119 (CHEMBL2328172)
IC50
3100±n/a nM
Citation
 Chan, BK; Estrada, AA; Chen, H; Atherall, J; Baker-Glenn, C; Beresford, A; Burdick, DJ; Chambers, M; Dominguez, SL; Drummond, J; Gill, A; Kleinheinz, T; Le Pichon, CE; Medhurst, AD; Liu, X; Moffat, JG; Nash, K; Scearce-Levie, K; Sheng, Z; Shore, DG; Van de Poël, H; Zhang, S; Zhu, H; Sweeney, ZK Discovery of a Highly Selective, Brain-Penetrant Aminopyrazole LRRK2 Inhibitor. ACS Med Chem Lett 4:85-90 (2013) [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:
BDBM50426410
Synonyms:
CHEMBL2326719
Type:
Small organic molecule
Emp. Form.:
C13H17F3N6
Mol. Mass.:
314.3095
SMILES:
CNc1nc(Nc2cnn(C(C)C)c2C)ncc1C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: