Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50592756
Substrate
n/a
Meas. Tech.
ChEMBL_2205315 (CHEMBL5118023)
Ki
126500±n/a nM
Citation
 Li, Y; Liu, Y; Chen, Y; Wang, K; Luan, Y Design, synthesis and antitumor activity study of a gemcitabine prodrug conjugated with a HDAC6 inhibitor. Bioorg Med Chem Lett 72:0 (2022) [PubMed] 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_RAT | CYPIA2 | Cyp1a-2 | Cyp1a2 | Cytochrome P-448 | Cytochrome P-450d | Cytochrome P450-D
Type:
PROTEIN
Mol. Mass.:
58273.18
Organism:
Rattus norvegicus
Description:
ChEMBL_1487340
Residue:
513
Sequence:
MAFSQYISLAPELLLATAIFCLVFWVLRGTRTQVPKGLKSPPGPWGLPFIGHMLTLGKNPHLSLTKLSQQYGDVLQIRIGSTPVVVLSGLNTIKQALVKQGDDFKGRPDLYSFTLITNGKSMTFNPDSGPVWAARRRLAQDALKSFSIASDPTSVSSCYLEEHVSKEANHLISKFQKLMAEVGHFEPVNQVVESVANVIGAMCFGKNFPRKSEEMLNLVKSSKDFVENVTSGNAVDFFPVLRYLPNPALKRFKNFNDNFVLFLQKTVQEHYQDFNKNSIQDITGALFKHSENYKDNGGLIPQEKIVNIVNDIFGAGFETVTTAIFWSILLLVTEPKVQRKIHEELDTVIGRDRQPRLSDRPQLPYLEAFILEIYRYTSFVPFTIPHSTTRDTSLNGFHIPKECCIFINQWQVNHDEKQWKDPFVFRPERFLTNDNTAIDKTLSEKVMLFGLGKRRCIGEIPAKWEVFLFLAILLHQLEFTVPPGVKVDLTPSYGLTMKPRTCEHVQAWPRFSK
  
Inhibitor
Name:
BDBM50592756
Synonyms:
CHEMBL5182450
Type:
Small organic molecule
Emp. Form.:
C24H39F2N3O5
Mol. Mass.:
487.5804
SMILES:
CCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |r|
Structure:
Search PDB for entries with ligand similarity: