Reaction Details Report a problem with these data
Target
P2X purinoceptor 5
Ligand
BDBM50179360
Substrate
n/a
Meas. Tech.
ChEMBL_2221596 (CHEMBL5134930)
IC50
16070±n/a nM
Citation
 Mahmood, A; Ali Shah, SJ; Iqbal, J Design and synthesis of adamantane-1-carbonyl thiourea derivatives as potent and selective inhibitors of h-P2X4 and h-P2X7 receptors: An Emerging therapeutic tool for treatment of inflammation and neurological disorders. Eur J Med Chem 231:0 (2022) [PubMed] 
Target
Name:
P2X purinoceptor 5
Synonyms:
ATP receptor | P2RX5 | P2RX5_HUMAN | P2X5 | Purinergic receptor
Type:
PROTEIN
Mol. Mass.:
47208.74
Organism:
Homo sapiens (Human)
Description:
ChEMBL_612725
Residue:
422
Sequence:
MGQAGCKGLCLSLFDYKTEKYVIAKNKKVGLLYRLLQASILAYLVVWVFLIKKGYQDVDTSLQSAVITKVKGVAFTNTSDLGQRIWDVADYVIPAQGENVFFVVTNLIVTPNQRQNVCAENEGIPDGACSKDSDCHAGEAVTAGNGVKTGRCLRRENLARGTCEIFAWCPLETSSRPEEPFLKEAEDFTIFIKNHIRFPKFNFSKSNVMDVKDRSFLKSCHFGPKNHYCPIFRLGSVIRWAGSDFQDIALEGGVIGINIEWNCDLDKAASECHPHYSFSRLDNKLSKSVSSGYNFRFARYYRDAAGVEFRTLMKAYGIRFDVMVNGKGAFFCDLVLIYLIKKREFYRDKKYEEVRGLEDSSQEAEDEASGLGLSEQLTSGPGLLGMPEQQELQEPPEAKRGSSSQKGNGSVCPQLLEPHRST
  
Inhibitor
Name:
BDBM50179360
Synonyms:
CHEMBL3040216
Type:
Small organic molecule
Emp. Form.:
C51H40N6O23S6
Mol. Mass.:
1297.28
SMILES:
CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|
Structure:
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