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Target
Cytochrome P450 1A2
Ligand
BDBM50240237
Substrate
n/a
Meas. Tech.
ChEMBL_1667890 (CHEMBL4017778)
IC50
>50000±n/a nM
Citation
 Wu, W; Li, Z; Yang, G; Teng, M; Qin, J; Hu, Z; Hou, L; Shen, L; Dong, H; Zhang, Y; Li, J; Chen, S; Tian, J; Zhang, J; Ye, L The discovery of tetrahydropyridine analogs as hNav1.7 selective inhibitors for analgesia. Bioorg Med Chem Lett 27:2210-2215 (2017) [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:
BDBM50240237
Synonyms:
CHEMBL4079748
Type:
Small organic molecule
Emp. Form.:
C21H18ClF3N4O2S2
Mol. Mass.:
514.971
SMILES:
Fc1cnc(NS(=O)(=O)c2cc(Cl)c(NC[C@H]3NCCC=C3c3ccc(F)cc3)cc2F)s1 |r,c:20|
Structure:
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