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Target
Cytochrome P450 2D6
Ligand
BDBM50568243
Substrate
n/a
Meas. Tech.
ChEMBL_2104897 (CHEMBL4813400)
IC50
>10000±n/a nM
Citation
 El-Awady, R; Saleh, E; Hamoudi, R; Ramadan, WS; Mazitschek, R; Nael, MA; Elokely, KM; Abou-Gharbia, M; Childers, WE; Srinivasulu, V; Aloum, L; Menon, V; Al-Tel, TH Discovery of novel class of histone deacetylase inhibitors as potential anticancer agents. Bioorg Med Chem 42:0 (2021) [PubMed]  Article 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Human
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50568243
Synonyms:
CHEMBL4846752
Type:
Small organic molecule
Emp. Form.:
C21H16N6O
Mol. Mass.:
368.3913
SMILES:
ONC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1)-c1cn2ccccc2n1
Structure:
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