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Target
Cytochrome P450 2D6
Ligand
BDBM50600846
Substrate
n/a
Meas. Tech.
ChEMBL_2235314 (CHEMBL5149086)
IC50
>20000±n/a nM
Citation
 Heinrich, T; Peterson, C; Schneider, R; Garg, S; Schwarz, D; Gunera, J; Seshire, A; Kötzner, L; Schlesiger, S; Musil, D; Schilke, H; Doerfel, B; Diehl, P; Böpple, P; Lemos, AR; Sousa, PMF; Freire, F; Bandeiras, TM; Carswell, E; Pearson, N; Sirohi, S; Hooker, M; Trivier, E; Broome, R; Balsiger, A; Crowden, A; Dillon, C; Wienke, D Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead  J Med Chem 65:9206-9229 (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:
BDBM50600846
Synonyms:
CHEMBL5170406
Type:
Small organic molecule
Emp. Form.:
C18H12F3N3O2
Mol. Mass.:
359.302
SMILES:
Cn1cc2c3cc(ccc3n(-c3ccc(cc3)C(F)(F)F)c2n1)C(O)=O
Structure:
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