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Target
Cytochrome P450 2D6
Ligand
BDBM50594408
Substrate
n/a
Meas. Tech.
ChEMBL_2212609 (CHEMBL5125558)
IC50
10800±n/a nM
Citation
 Alford, JS; Lampe, JW; Brach, D; Chesworth, R; Cosmopoulos, K; Duncan, KW; Eckley, ST; Kutok, JL; Raimondi, A; Riera, TV; Shook, B; Tang, C; Totman, J; Farrow, NA Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies. ACS Med Chem Lett 13:1137-1143 (2022) [PubMed] 
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:
BDBM50594408
Synonyms:
CHEMBL5195440
Type:
Small organic molecule
Emp. Form.:
C23H29FN4O2
Mol. Mass.:
412.5004
SMILES:
[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r|
Structure:
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