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Target
Cytochrome P450 1A2
Ligand
BDBM50275377
Substrate
n/a
Meas. Tech.
ChEMBL_493398 (CHEMBL943379)
EC50
>50000±n/a nM
Citation
 Payne, JE; Bonnefous, C; Hassig, CA; Symons, KT; Guo, X; Nguyen, PM; Annable, T; Wash, PL; Hoffman, TZ; Rao, TS; Shiau, AK; Malecha, JW; Noble, SA; Hager, JH; Smith, ND Identification of KD5170: a novel mercaptoketone-based histone deacetylase inhibitor. Bioorg Med Chem Lett 18:6093-6 (2008) [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:
BDBM50275377
Synonyms:
CHEMBL520237 | S-2-(6-(4-(3-(dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl ethanethioate hydrobromide
Type:
Small organic molecule
Emp. Form.:
C20H25N3O5S2
Mol. Mass.:
451.56
SMILES:
CN(C)CCCOc1ccc(cc1)S(=O)(=O)Nc1ccc(cn1)C(=O)CSC(C)=O
Structure:
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