Reaction Details Report a problem with these data
Target
Prostaglandin D2 receptor
Ligand
BDBM50417768
Substrate
n/a
Meas. Tech.
ChEMBL_701282 (CHEMBL1648902)
IC50
2.88±n/a nM
Citation
 Mu, L; Aguiar, J; Ardati, A; Cao, B; Gardner, CJ; Gillespy, T; Harris, K; Lim, S; Marcus, R; Morize, I; Parkar, A; Stefany, D; Li, Y; Vaz, RJ; Cirovic, DA Understanding DP receptor antagonism using a CoMSIA approach. Bioorg Med Chem Lett 21:66-75 (2010) [PubMed]  Article 
Target
Name:
Prostaglandin D2 receptor
Synonyms:
PD2R_HUMAN | PTGDR | Prostaglandin D2 | Prostaglandin D2 receptor | Prostanoid DP receptor
Type:
Enzyme
Mol. Mass.:
40288.87
Organism:
Homo sapiens (Human)
Description:
Q13258
Residue:
359
Sequence:
MKSPFYRCQNTTSVEKGNSAVMGGVLFSTGLLGNLLALGLLARSGLGWCSRRPLRPLPSVFYMLVCGLTVTDLLGKCLLSPVVLAAYAQNRSLRVLAPALDNSLCQAFAFFMSFFGLSSTLQLLAMALECWLSLGHPFFYRRHITLRLGALVAPVVSAFSLAFCALPFMGFGKFVQYCPGTWCFIQMVHEEGSLSVLGYSVLYSSLMALLVLATVLCNLGAMRNLYAMHRRLQRHPRSCTRDCAEPRADGREASPQPLEELDHLLLLALMTVLFTMCSLPVIYRAYYGAFKDVKEKNRTSEEAEDLRALRFLSVISIVDPWIFIIFRSPVFRIFFHKIFIRPLRYRSRCSNSTNMESSL
  
Inhibitor
Name:
BDBM50417768
Synonyms:
CHEMBL1644238
Type:
Small organic molecule
Emp. Form.:
C20H22N4O4S
Mol. Mass.:
414.478
SMILES:
COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)S(N)(=O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: