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Target
Cytochrome P450 2D6
Ligand
BDBM50531732
Substrate
n/a
Meas. Tech.
ChEMBL_1920764 (CHEMBL4423609)
IC50
>100000±n/a nM
Citation
 de Moura Sperotto, ND; Deves Roth, C; Rodrigues-Junior, VS; Ev Neves, C; Reisdorfer Paula, F; da Silva Dadda, A; Bergo, P; Freitas de Freitas, T; Souza Macchi, F; Moura, S; Duarte de Souza, AP; Campos, MM; Valim Bizarro, C; Santos, DS; Basso, LA; Machado, P Design of Novel Inhibitors of Human Thymidine Phosphorylase: Synthesis, Enzyme Inhibition, in Vitro Toxicity, and Impact on Human Glioblastoma Cancer. J Med Chem 62:1231-1245 (2019) [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:
BDBM50531732
Synonyms:
CHEMBL4455140
Type:
Small organic molecule
Emp. Form.:
C8H12IN3O4
Mol. Mass.:
341.1031
SMILES:
OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I
Structure:
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