Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50597430
Substrate
n/a
Meas. Tech.
ChEMBL_2223417 (CHEMBL5136751)
IC50
>100000±n/a nM
Citation
 Hill, MD; Blanco, MJ; Salituro, FG; Bai, Z; Beckley, JT; Ackley, MA; Dai, J; Doherty, JJ; Harrison, BL; Hoffmann, EC; Kazdoba, TM; Lanzetta, D; Lewis, M; Quirk, MC; Robichaud, AJ SAGE-718: A First-in-Class  J Med Chem 65:9063-9075 (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:
Human
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50597430
Synonyms:
Dalzanemdor | DALZANEMDOR
Type:
Small organic molecule
Emp. Form.:
C27H43F3O2
Mol. Mass.:
456.63
SMILES:
C[C@H](CC[C@](C)(O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
Structure:
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