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Target
Cytochrome P450 2D6
Ligand
BDBM50504115
Substrate
n/a
Meas. Tech.
ChEMBL_1813601 (CHEMBL4313175)
IC50
>1000±n/a nM
Citation
 Elmenoufy, AH; Gentile, F; Jay, D; Karimi-Busheri, F; Yang, X; Soueidan, OM; Weilbeer, C; Mani, RS; Barakat, KH; Tuszynski, JA; Weinfeld, M; West, FG Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF. J Med Chem 62:7684-7696 (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:
BDBM50504115
Synonyms:
CHEMBL4470176
Type:
Small organic molecule
Emp. Form.:
C29H34ClN5O2
Mol. Mass.:
520.066
SMILES:
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(CCN(C)C)CC4)c3)c2c1
Structure:
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