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Target
Cytochrome P450 2D6
Ligand
BDBM50365396
Substrate
n/a
Meas. Tech.
ChEMBL_806088 (CHEMBL1960691)
IC50
177000±n/a nM
Citation
 Dunn, D; Hostetler, G; Iqbal, M; Messina-McLaughlin, P; Reiboldt, A; Lin, YG; Gruner, J; Bacon, ER; Ator, MA; Chatterjee, S Wake-promoting agents: search for next generation modafinil: part II. Bioorg Med Chem Lett 22:2315-7 (2012) [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:
BDBM50365396
Synonyms:
CHEMBL1956397
Type:
Small organic molecule
Emp. Form.:
C15H14ClNO2S
Mol. Mass.:
307.795
SMILES:
NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: