Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50398711
Substrate
n/a
Meas. Tech.
ChEMBL_875919 (CHEMBL2188032)
IC50
14700±n/a nM
Citation
 Nirogi, R; Shinde, A; Daulatabad, A; Kambhampati, R; Gudla, P; Shaik, M; Gampa, M; Balasubramaniam, S; Gangadasari, P; Reballi, V; Badange, R; Bojja, K; Subramanian, R; Bhyrapuneni, G; Muddana, N; Jayarajan, P Design, synthesis, and pharmacological evaluation of piperidin-4-yl amino aryl sulfonamides: novel, potent, selective, orally active, and brain penetrant 5-HT6 receptor antagonists. J Med Chem 55:9255-69 (2012) [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:
BDBM50398711
Synonyms:
CHEMBL2179217
Type:
Small organic molecule
Emp. Form.:
C22H26ClN3O3S
Mol. Mass.:
447.978
SMILES:
COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12
Structure:
Search PDB for entries with ligand similarity: