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TargetCytochrome P450 2D6 (2D6)
LigandBDBM50245848
Substrate/Competitorn/a
Meas. Tech.ChEMBL_598209
IC50 3900±n/a nM
Citation Martyn, DCBeletsky, GCortese, JFTyndall, ELiu, HFitzgerald, MMO'Shea, TJLiang, BClardy, J Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. Bioorg Med Chem Lett19:5657-60 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2D6 (2D6)
Name:Cytochrome P450 2D6
Synonyms:CYPIID6 | Cytochrome P450 2D6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:Protein
Mol. Mass.:55774.82
Organism:Homo sapiens (Human)
Description:P10635
Residue:497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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  Blast E-value cutoff:
BDBM50245848
NameBDBM50245848
Synonyms:CHEMBL462360 | N-(2-(7-chloroquinolin-4-ylamino)ethyl)-2-(3-methyl-1,2-dioxaspiro[4.5]decan-3-yl)acetamide | N-[2-(7-Chloro-quinolin-4-ylamino)-ethyl]-2-(3-methyl-1,2-dioxa-spiro[4.5]dec-3-yl)-acetamide
TypeSmall organic molecule
Emp. Form.C22H28ClN3O3
Mol. Mass.417.929
SMILESCC1(CC(=O)NCCNc2ccnc3cc(Cl)ccc23)CC2(CCCCC2)OO1
Structure
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n/a