Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50352205
Substrate
n/a
Meas. Tech.
ChEMBL_767450 (CHEMBL1825562)
IC50
>10000±n/a nM
Citation
 Zhang, L; Fan, J; Chong, JH; Cesena, A; Tam, BY; Gilson, C; Boykin, C; Wang, D; Aivazian, D; Marcotte, D; Xiao, G; Le Brazidec, JY; Piao, J; Lundgren, K; Hong, K; Vu, K; Nguyen, K; Gan, LS; Silvian, L; Ling, L; Teng, M; Reff, M; Takeda, N; Timple, N; Wang, Q; Morena, R; Khan, S; Zhao, S; Li, T; Lee, WC; Taveras, AG; Chao, J Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I). Bioorg Med Chem Lett 21:5633-7 (2011) [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:
BDBM50352205
Synonyms:
CHEMBL1825096
Type:
Small organic molecule
Emp. Form.:
C18H23N7O2S
Mol. Mass.:
401.486
SMILES:
CS(=O)(=O)Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
Structure:
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