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Target
Cytochrome P450 2D6
Ligand
BDBM50576021
Substrate
n/a
Meas. Tech.
ChEMBL_2126234 (CHEMBL4835579)
IC50
>10000±n/a nM
Citation
 Konteatis, Z; Travins, J; Gross, S; Marjon, K; Barnett, A; Mandley, E; Nicolay, B; Nagaraja, R; Chen, Y; Sun, Y; Liu, Z; Yu, J; Ye, Z; Jiang, F; Wei, W; Fang, C; Gao, Y; Kalev, P; Hyer, ML; DeLaBarre, B; Jin, L; Padyana, AK; Dang, L; Murtie, J; Biller, SA; Sui, Z; Marks, KM Discovery of AG-270, a First-in-Class Oral MAT2A Inhibitor for the Treatment of Tumors with Homozygous  J Med Chem 64:4430-4449 (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:
BDBM50576021
Synonyms:
CHEMBL4573938
Type:
Small organic molecule
Emp. Form.:
C30H27N5O2
Mol. Mass.:
489.5677
SMILES:
COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36|
Structure:
Search PDB for entries with ligand similarity: