Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM168436
Substrate
n/a
Meas. Tech.
ChEMBL_1886564 (CHEMBL4388241)
IC50
>25000±n/a nM
Citation
 Linciano, P; Pozzi, C; Iacono, LD; di Pisa, F; Landi, G; Bonucci, A; Gul, S; Kuzikov, M; Ellinger, B; Witt, G; Santarem, N; Baptista, C; Franco, C; Moraes, CB; Müller, W; Wittig, U; Luciani, R; Sesenna, A; Quotadamo, A; Ferrari, S; Pöhner, I; Cordeiro-da-Silva, A; Mangani, S; Costantino, L; Costi, MP Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J Med Chem 62:3989-4012 (2019) [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:
BDBM168436
Synonyms:
US9675591, SKA-19
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
c1cc2c(cc1SC(F)(F)F)sc(n2)N
Structure:
Search PDB for entries with ligand similarity: