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TargetCytochrome P450 1A2
LigandBDBM50325211
Substrate/Competitorn/a
Meas. Tech.ChEMBL_651863 (CHEMBL1227228)
IC50>20±n/a nM
Citation Lee, JSeo, HJLee, SHKim, JJung, MELee, SHSong, KSLee, JKang, SYKim, MJKim, MSSon, EJLee, MHan, HK Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist. Bioorg Med Chem18:6377-88 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A2
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:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50325211
n/a
NameBDBM50325211
Synonyms:2-(4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole | CHEMBL1223259
TypeSmall organic molecule
Emp. Form.C24H21BrClN7S
Mol. Mass.554.892
SMILESCC(C)(C)c1nnc(s1)-c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl
Structure
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