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TargetCytochrome P450 1A
LigandBDBM50207463
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1631996
IC50>30000±n/a nM
Citation Wood MR; Noetzel MJ; Poslusney MS; Melancon BJ; Tarr JC; Lamsal A; Chang S; Luscombe VB; Weiner RL; Cho HP; Bubser M; Jones CK; Niswender CM; Wood MW; Engers DW; Brandon NJ; Duggan ME; Conn PJ; Bridges TM; Lindsley CW Challenges in the development of an M Bioorg Med Chem Lett 27:171-175 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A
Name:Cytochrome P450 1A
Synonyms:CYPIA2 | Cytochrome P450 1A2 | Cytochrome P450 1A2 (CYP1A2)
Type:Enzyme
Mol. Mass.:58310.23
Organism:Homo sapiens (Human)
Description:n/a
Residue:515
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARRFSIN
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  Blast E-value cutoff:
BDBM50207463
n/a
NameBDBM50207463
Synonyms:CHEMBL3963788
TypeSmall organic molecule
Emp. Form.C17H16F2N4O3S2
Mol. Mass.426.461
SMILESCc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C
Structure
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