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Target
Cytochrome P450 2D6
Ligand
BDBM50579576
Substrate
n/a
Meas. Tech.
ChEMBL_2135900 (CHEMBL4845510)
IC50
>20000±n/a nM
Citation
 Nguyen, HH; Tahirovic, YA; Truax, VM; Wilson, RJ; Jecs, E; Miller, EJ; Kim, MB; Akins, NS; Xu, L; Jiang, Y; Wang, T; Sum, CS; Cvijic, ME; Schroeder, GM; Wilson, LJ; Liotta, DC Amino-Heterocycle Tetrahydroisoquinoline CXCR4 Antagonists with Improved ADME Profiles via Late-Stage Buchwald Couplings. ACS Med Chem Lett 12:1605-1612 (2021) [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:
BDBM50579576
Synonyms:
CHEMBL4857452
Type:
Small organic molecule
Emp. Form.:
C27H39N5
Mol. Mass.:
433.6321
SMILES:
CN(C[C@H]1Cc2c(CN1)cccc2N(C)C1CCN(C)CC1)[C@H]1CCCc2cccnc12 |r|
Structure:
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