Target
Cytochrome P450 1A2
Ligand
BDBM50084137
Substrate
n/a
Meas. Tech.
ChEMBL_1911035 (CHEMBL4413481)
Ki
500±n/a nM
Citation
 Graziani, DCaligari, SCallegari, EDe Toma, CLonghi, MFrigerio, FDilernia, RMenegon, SPinzi, LPirona, LTazzari, VValsecchi, AEVistoli, GRastelli, GRiva, C Evaluation of Amides, Carbamates, Sulfonamides, and Ureas of 4-Prop-2-ynylidenecycloalkylamine as Potent, Selective, and Bioavailable Negative Allosteric Modulators of Metabotropic Glutamate Receptor 5. J Med Chem 62:1246-1273 (2019) [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:
BDBM50084137
Synonyms:
2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-phenylethynyl-pyridine | 2-Methyl-6-phenylethynyl-pyridine(MPEP) | 2-methyl-6-(2-phenylethynyl)pyridine | 2-methyl-6-(phenyl-ethynyl)pyridine | 2-methyl-6-(phenylethynyl)-pyridine | 6-methyl-2-(2-phenylethynyl)pyridine | CHEMBL1788108 | CHEMBL66654 | MPEP | US10618900, No. MPEP | [3H]-2-methyl-6-(phenylethynyl)-pyridine
Type:
Small organic molecule
Emp. Form.:
C14H11N
Mol. Mass.:
193.2438
SMILES:
Cc1cccc(n1)C#Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: