Reaction Details  Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50391265
Substrate
n/a
Meas. Tech.
ChEMBL_2264100
IC50
>45000±n/a nM
Citation
 Nirogi, R; Mohammed, AR; Shinde, AK; Gagginapally, SR; Kancharla, DM; Ravella, SR; Bogaraju, N; Middekadi, VR; Subramanian, R; Palacharla, RC; Benade, V; Muddana, N; Abraham, R; Medapati, RB; Thentu, JB; Mekala, VR; Petlu, S; Lingavarapu, BB; Yarra, S; Kagita, N; Goyal, VK; Pandey, SK; Jasti, V Discovery and Preclinical Characterization of Usmarapride (SUVN-D4010): A Potent, Selective 5-HT J Med Chem 64:10641-10665 (2021) [PubMed]
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:
BDBM50391265
Synonyms:
CHEMBL5276171
Type:
Small organic molecule
Emp. Form.:
C21H30N4O2
Mol. Mass.:
370.4885
SMILES:
COCCCN1CC2C(CNC(=O)c3nn(C(C)C)c4ccccc34)C2C1
Structure:
Search PDB for entries with ligand similarity: