Target
Cytochrome P450 1A2
Ligand
BDBM22720
Substrate
n/a
Meas. Tech.
ChEMBL_434616 (CHEMBL915723)
IC50
>20000±n/a nM
Citation
 Pace, PDi Francesco, MEGardelli, CHarper, SMuraglia, ENizi, EOrvieto, FPetrocchi, APoma, MRowley, MScarpelli, RLaufer, RGonzalez Paz, OMonteagudo, EBonelli, FHazuda, DStillmock, KASumma, V Dihydroxypyrimidine-4-carboxamides as novel potent and selective HIV integrase inhibitors. J Med Chem 50:2225-39 (2007) [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:
BDBM22720
Synonyms:
2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5,6-dihydroxypyrimidine-4-carboxamide | CHEMBL386515 | Dihydroxypyrimidine, 13
Type:
Small organic molecule
Emp. Form.:
C17H21FN4O3
Mol. Mass.:
348.372
SMILES:
CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: