Target
Cytochrome P450 2D6
Ligand
BDBM50441806
Substrate
n/a
Meas. Tech.
ChEMBL_988982 (CHEMBL2439942)
IC50
>50000±n/a nM
Citation
 Kester, RFDonnell, AFLou, YRemiszewski, SWLombardo, LJChen, SLe, NTLo, JMoliterni, JAHan, XHogg, JHLiang, WMichoud, CRupert, KCMischke, SLe, KWeisel, MJanson, CALukacs, CMFretland, AJHong, KPolonskaia, AGao, LLi, SSolis, DSAguilar, DTardell, CDvorozniak, MTannu, SLee, ECSchutt, ADGoggin, B Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain. J Med Chem 56:7788-803 (2013) [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:
BDBM50441806
Synonyms:
CHEMBL2436226 | US9422331, 32
Type:
Small organic molecule
Emp. Form.:
C29H31N5O3
Mol. Mass.:
497.5881
SMILES:
CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N |r|
Structure:
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