Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50036635
Substrate
n/a
Meas. Tech.
ChEMBL_1433749 (CHEMBL3387007)
IC50
>10000±n/a nM
Citation
 Kim, J; Kwon, J; Lee, D; Jo, S; Park, DS; Choi, J; Park, E; Hwang, JY; Ko, Y; Choi, I; Ju, MK; Ahn, J; Kim, J; Han, SJ; Kim, TH; Cechetto, J; Nam, J; Ahn, S; Sommer, P; Liuzzi, M; Lee, J Serendipitous discovery of 2-((phenylsulfonyl)methyl)-thieno[3,2-d]pyrimidine derivatives as novel HIV-1 replication inhibitors. Bioorg Med Chem Lett 24:5473-7 (2015) [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:
BDBM50036635
Synonyms:
CHEMBL3354313
Type:
Small organic molecule
Emp. Form.:
C19H14ClN3O3S2
Mol. Mass.:
431.916
SMILES:
COc1ccc(cn1)-c1nc(CS(=O)(=O)c2cccc(Cl)c2)nc2ccsc12
Structure:
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