Reaction Details Report a problem with these data
Target
P2X purinoceptor 1
Ligand
BDBM50535411
Substrate
n/a
Meas. Tech.
ChEMBL_1930451 (CHEMBL4433702)
IC50
>100000±n/a nM
Citation
 Dal Ben, D; Buccioni, M; Lambertucci, C; Marucci, G; Spinaci, A; Marchenkova, A; Abdelrahman, A; Nistri, A; Müller, CE; Volpini, R Investigation on 2',3'- ACS Med Chem Lett 10:493-498 (2019) [PubMed]  Article 
Target
Name:
P2X purinoceptor 1
Synonyms:
ATP receptor | P2RX1 | P2RX1_HUMAN | P2X1 | Purinergic receptor | Purinergic, P2X
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44992.65
Organism:
Homo sapiens (Human)
Description:
Purinergic, P2X 0 HUMAN::P51575
Residue:
399
Sequence:
MARRFQEELAAFLFEYDTPRMVLVRNKKVGVIFRLIQLVVLVYVIGWVFLYEKGYQTSSGLISSVSVKLKGLAVTQLPGLGPQVWDVADYVFPAQGDNSFVVMTNFIVTPKQTQGYCAEHPEGGICKEDSGCTPGKAKRKAQGIRTGKCVAFNDTVKTCEIFGWCPVEVDDDIPRPALLREAENFTLFIKNSISFPRFKVNRRNLVEEVNAAHMKTCLFHKTLHPLCPVFQLGYVVQESGQNFSTLAEKGGVVGITIDWHCDLDWHVRHCRPIYEFHGLYEEKNLSPGFNFRFARHFVENGTNYRHLFKVFGIRFDILVDGKAGKFDIIPTMTTIGSGIGIFGVATVLCDLLLLHILPKRHYYKQKKFKYAEDMGPGAAERDLAATSSTLGLQENMRTS
  
Inhibitor
Name:
BDBM50535411
Synonyms:
CHEMBL4440260
Type:
Small organic molecule
Emp. Form.:
C18H22N6O8
Mol. Mass.:
450.4027
SMILES:
[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2C(=O)N[C@@H](CCC(O)=O)C(O)=O)n1cnc2c(N)ncnc12 |r|
Structure:
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