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Target
Cytochrome P450 2D6
Ligand
BDBM50508419
Substrate
n/a
Meas. Tech.
ChEMBL_1833054 (CHEMBL4333062)
IC50
>50000±n/a nM
Citation
 Lee, D; Pagire, HS; Pagire, SH; Bae, EJ; Dighe, M; Kim, M; Lee, KM; Jang, YK; Jaladi, AK; Jung, KY; Yoo, EK; Gim, HE; Lee, S; Choi, WI; Chi, YI; Song, JS; Bae, MA; Jeon, YH; Lee, GH; Liu, KH; Lee, T; Park, S; Jeon, JH; Lee, IK; Ahn, JH Discovery of Novel Pyruvate Dehydrogenase Kinase 4 Inhibitors for Potential Oral Treatment of Metabolic Diseases. J Med Chem 62:575-588 (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:
BDBM50508419
Synonyms:
CHEMBL4471264
Type:
Small organic molecule
Emp. Form.:
C22H20ClN3O2
Mol. Mass.:
393.866
SMILES:
Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1
Structure:
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