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Target
Cytochrome P450 2D6
Ligand
BDBM50297371
Substrate
n/a
Meas. Tech.
ChEMBL_583359 (CHEMBL1053352)
IC50
>10±n/a nM
Citation
 Hutchinson, JH; Li, Y; Arruda, JM; Baccei, C; Bain, G; Chapman, C; Correa, L; Darlington, J; King, CD; Lee, C; Lorrain, D; Prodanovich, P; Rong, H; Santini, A; Stock, N; Prasit, P; Evans, JF 5-lipoxygenase-activating protein inhibitors: development of 3-[3-tert-butylsulfanyl-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM103). J Med Chem 52:5803-15 (2009) [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:
BDBM50297371
Synonyms:
3-(3-(tert-butylthio)-5-(pyridin-2-ylmethoxy)-1-(4-(pyrimidin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoic acid | CHEMBL557052
Type:
Small organic molecule
Emp. Form.:
C34H36N4O3S
Mol. Mass.:
580.74
SMILES:
CC(C)(C)Sc1c(CC(C)(C)C(O)=O)n(Cc2ccc(cc2)-c2ncccn2)c2ccc(OCc3ccccn3)cc12
Structure:
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