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Target
Cytochrome P450 2D6
Ligand
BDBM50506241
Substrate
n/a
Meas. Tech.
ChEMBL_1825301 (CHEMBL4325065)
IC50
>50000±n/a nM
Citation
 Panchaud, P; Surivet, JP; Diethelm, S; Blumstein, AC; Gauvin, JC; Jacob, L; Masse, F; Mathieu, G; Mirre, A; Schmitt, C; Enderlin-Paput, M; Lange, R; Gnerre, C; Seeland, S; Herrmann, C; Locher, HH; Seiler, P; Ritz, D; Rueedi, G Optimization of LpxC Inhibitor Lead Compounds Focusing on Efficacy and Formulation for High Dose Intravenous Administration. J Med Chem 63:88-102 (2020) [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:
BDBM50506241
Synonyms:
CHEMBL4437135
Type:
Small organic molecule
Emp. Form.:
C21H26N4O6S
Mol. Mass.:
462.519
SMILES:
C[C@@](CCN1Cc2cc(cn2C1=O)C#CC#CC1CN(CCO)C1)(C(=O)NO)S(C)(=O)=O |r|
Structure:
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