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Target
Cytochrome P450 2D6
Ligand
BDBM50170223
Substrate
n/a
Meas. Tech.
ChEMBL_1577487 (CHEMBL3806829)
IC50
>20000±n/a nM
Citation
 Cherian, J; Nacro, K; Poh, ZY; Guo, S; Jeyaraj, DA; Wong, YX; Ho, M; Yang, HY; Joy, JK; Kwek, ZP; Liu, B; Wee, JL; Ong, EH; Choong, ML; Poulsen, A; Lee, MA; Pendharkar, V; Ding, LJ; Manoharan, V; Chew, YS; Sangthongpitag, K; Lim, S; Ong, ST; Hill, J; Keller, TH Structure-Activity Relationship Studies of Mitogen Activated Protein Kinase Interacting Kinase (MNK) 1 and 2 and BCR-ABL1 Inhibitors Targeting Chronic Myeloid Leukemic Cells. J Med Chem 59:3063-78 (2016) [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:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50170223
Synonyms:
CHEMBL3805330
Type:
Small organic molecule
Emp. Form.:
C29H31F3N6O2
Mol. Mass.:
552.5906
SMILES:
FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1
Structure:
Search PDB for entries with ligand similarity: