Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50540671
Substrate
n/a
Meas. Tech.
ChEMBL_1982571 (CHEMBL4615833)
IC50
>30000±n/a nM
Citation
 Malancona, S; Mori, M; Fezzardi, P; Santoriello, M; Basta, A; Nibbio, M; Kovalenko, L; Speziale, R; Battista, MR; Cellucci, A; Gennari, N; Monteagudo, E; Di Marco, A; Giannini, A; Sharma, R; Pires, M; Real, E; Zazzi, M; Dasso Lang, MC; De Forni, D; Saladini, F; Mely, Y; Summa, V; Harper, S; Botta, M 5,6-Dihydroxypyrimidine Scaffold to Target HIV-1 Nucleocapsid Protein. ACS Med Chem Lett 11:766-772 (2020) [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:
BDBM50540671
Synonyms:
CHEMBL4635907
Type:
Small organic molecule
Emp. Form.:
C22H24N4O3
Mol. Mass.:
392.451
SMILES:
C[C@@H](NC(=O)c1nc(nc(O)c1O)-c1nccc2ccccc12)C1CCCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: