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Target
Cytochrome P450 2D6
Ligand
BDBM50244440
Substrate
n/a
Meas. Tech.
ChEMBL_1673697 (CHEMBL4023726)
IC50
>5000±n/a nM
Citation
 Crawford, JJ; Johnson, AR; Misner, DL; Belmont, LD; Castanedo, G; Choy, R; Coraggio, M; Dong, L; Eigenbrot, C; Erickson, R; Ghilardi, N; Hau, J; Katewa, A; Kohli, PB; Lee, W; Lubach, JW; McKenzie, BS; Ortwine, DF; Schutt, L; Tay, S; Wei, B; Reif, K; Liu, L; Wong, H; Young, WB Discovery of GDC-0853: A Potent, Selective, and Noncovalent Bruton's Tyrosine Kinase Inhibitor in Early Clinical Development. J Med Chem 61:2227-2245 (2018) [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:
BDBM50244440
Synonyms:
CHEMBL4065122
Type:
Small organic molecule
Emp. Form.:
C37H44N8O4
Mol. Mass.:
664.7965
SMILES:
C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r|
Structure:
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