Reaction Details 
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Cytochrome P450 1A2
Ligand
BDBM639343
Substrate
n/a
Meas. Tech.
Enzymatic Activity Assay
IC50
>20000±n/a nM
Citation
Beck, H; Mesch, S; Vakalopoulos, A; Pfaff, N; Zimmermann, S; Follmann, M; Kersten, E; Levilain, G; Partikel, K; Broehl, AP; Heitmeier, S; Dietze-Torres, J; Lehmann, L; Gericke, KM; Süßmeier, F; Bärfacker, L; Hillisch, A; Tersteegen, A; Buchmüller, A; Gerdes, C SUBSTITUTED S-ALANINATE DERIVATIVES US Patent US20230391761 Publication Date 12/7/2023More Info.:
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:
BDBM639343
Synonyms:
3-(1-Methyl-1H-imidazol-2-yl)propyl 3-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-ethyl-3-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl]-S-alaninate hydrochloride | US20230391761, Reference 11
Type:
Small organic molecule
Emp. Form.:
C27H32ClN5O6S2
Mol. Mass.:
622.156
SMILES:
CCc1c(cccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)OCCCc1nccn1C)N1CCCC1=O |r|
Structure:
