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Target
Cytochrome P450 2D6
Ligand
BDBM414250
Substrate
n/a
Meas. Tech.
ChEMBL_2111976 (CHEMBL4820826)
IC50
20000±n/a nM
Citation
 Yang, MG; Beaudoin-Bertrand, M; Xiao, Z; Marcoux, D; Weigelt, CA; Yip, S; Wu, DR; Ruzanov, M; Sack, JS; Wang, J; Yarde, M; Li, S; Shuster, DJ; Xie, JH; Sherry, T; Obermeier, MT; Fura, A; Stefanski, K; Cornelius, G; Khandelwal, P; Karmakar, A; Basha, M; Babu, V; Gupta, AK; Mathur, A; Salter-Cid, L; Denton, R; Zhao, Q; Dhar, TGM Tricyclic-Carbocyclic ROR?t Inverse Agonists-Discovery of BMS-986313. J Med Chem 64:2714-2724 (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:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM414250
Synonyms:
US10435369, Example 137
Type:
Small organic molecule
Emp. Form.:
C26H25F8NO4S
Mol. Mass.:
599.533
SMILES:
CC(C)(O)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Structure:
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