Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50239940
Substrate
n/a
Meas. Tech.
ChEMBL_1667568 (CHEMBL4017364)
IC50
>100000±n/a nM
Citation
 Zhou, S; Mahmoud, S; Liu, P; Zhou, L; Ehteshami, M; Bassit, L; Tao, S; Domaoal, RA; Sari, O; Schutter, C; Amiralaei, S; Khalil, A; Ollinger Russell, O; McBrayer, T; Whitaker, T; Abou-Taleb, N; Amblard, F; Coats, SJ; Schinazi, RF 2'-Chloro,2'-fluoro Ribonucleotide Prodrugs with Potent Pan-genotypic Activity against Hepatitis C Virus Replication in Culture. J Med Chem 60:5424-5437 (2017) [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:
BDBM50239940
Synonyms:
CHEBI:85083 | PSI-7977, GS-7977 | Sofosbuvir | Sovaldi
Type:
Small organic molecule
Emp. Form.:
C22H29FN3O9P
Mol. Mass.:
529.4525
SMILES:
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: