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TargetCytochrome P450 1A2
LigandBDBM50172130
Substrate/Competitorn/a
Meas. Tech.ChEMBL_321392 (CHEMBL880627)
IC50 1038±n/a nM
Citation Chua, PCNagasawa, JYBleicher, LSMunoz, BSchweiger, EJTehrani, LAnderson, JJCramer, MChung, JGreen, MDKing, CDReyes-Manalo, GCosford, ND Cyclohexenyl- and dehydropiperidinyl-alkynyl pyridines as potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists. Bioorg Med Chem Lett15:4589-93 (2005) [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:
BDBM50172130
n/a
NameBDBM50172130
Synonyms:2-{[3-(pyridin-3-yloxy)cyclohex-1-en-1-yl]ethynyl}pyridine | CHEMBL426467
TypeSmall organic molecule
Emp. Form.C18H16N2O
Mol. Mass.276.3324
SMILESC1CC(Oc2cccnc2)C=C(C1)C#Cc1ccccn1 |c:11|
Structure
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