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Target
Cytochrome P450 2D6
Ligand
BDBM50499993
Substrate
n/a
Meas. Tech.
ChEMBL_1541291 (CHEMBL3742831)
IC50
5240±n/a nM
Citation
 Landge, S; Mullick, AB; Nagalapur, K; Neres, J; Subbulakshmi, V; Murugan, K; Ghosh, A; Sadler, C; Fellows, MD; Humnabadkar, V; Mahadevaswamy, J; Vachaspati, P; Sharma, S; Kaur, P; Mallya, M; Rudrapatna, S; Awasthy, D; Sambandamurthy, VK; Pojer, F; Cole, ST; Balganesh, TS; Ugarkar, BG; Balasubramanian, V; Bandodkar, BS; Panda, M; Ramachandran, V Discovery of benzothiazoles as antimycobacterial agents: Synthesis, structure-activity relationships and binding studies with Mycobacterium tuberculosis decaprenylphosphoryl-?-D-ribose 2'-oxidase. Bioorg Med Chem 23:7694-710 (2015) [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:
BDBM50499993
Synonyms:
CHEMBL3742122
Type:
Small organic molecule
Emp. Form.:
C16H17F3N4O4S
Mol. Mass.:
418.391
SMILES:
COCCN1CCN(CC1)C(=O)c1nc2cc(cc([N+]([O-])=O)c2s1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: