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Target
Cytochrome P450 1A2
Ligand
BDBM50597489
Substrate
n/a
Meas. Tech.
ChEMBL_2223528 (CHEMBL5136862)
IC50
1100±n/a nM
Citation
 Ladduwahetty, T; Lee, MR; Maillard, MC; Cachope, R; Todd, D; Barnes, M; Beaumont, V; Chauhan, A; Gallati, C; Haughan, AF; Kempf, G; Luckhurst, CA; Matthews, K; McAllister, G; Mitchell, P; Patel, H; Rose, M; Saville-Stones, E; Steinbacher, S; Stott, AJ; Thatcher, E; Tierney, J; Urbonas, L; Munoz-Sanjuan, I; Dominguez, C Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease. J Med Chem 65:9819-9845 (2022) [PubMed] 
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:
BDBM50597489
Synonyms:
CHEMBL5208605
Type:
Small organic molecule
Emp. Form.:
C20H24F2N4O2
Mol. Mass.:
390.427
SMILES:
COc1cc(F)cc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|
Structure:
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