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Target
Cytochrome P450 2D6
Ligand
BDBM50537147
Substrate
n/a
Meas. Tech.
ChEMBL_1935818 (CHEMBL4481577)
IC50
>50000±n/a nM
Citation
 Kotoku, M; Maeba, T; Fujioka, S; Yokota, M; Seki, N; Ito, K; Suwa, Y; Ikenogami, T; Hirata, K; Hase, Y; Katsuda, Y; Miyagawa, N; Arita, K; Asahina, K; Noguchi, M; Nomura, A; Doi, S; Adachi, T; Crowe, P; Tao, H; Thacher, S; Hashimoto, H; Suzuki, T; Shiozaki, M Discovery of Second Generation ROR? Inhibitors Composed of an Azole Scaffold. J Med Chem 62:2837-2842 (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:
BDBM50537147
Synonyms:
CHEMBL4537625
Type:
Small organic molecule
Emp. Form.:
C26H28Cl2N3NaO5
Mol. Mass.:
556.413
SMILES:
[Na;v0+].[#6]C([#6])([#6])[#6]-c1cc(no1)-c1onc(-[#6@@H](-[#6]-[#6]-[#6](-[#8-])=O)-[#6]-[#6](=O)-[#7]-c2ccc(Cl)cc2Cl)c1-[#6]-1-[#6]-[#6]-1 |r|
Structure:
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