Reaction Details Report a problem with these data
Target
Prostaglandin D2 receptor
Ligand
BDBM50128767
Substrate
n/a
Meas. Tech.
ChEMBL_157793 (CHEMBL768775)
IC50
2.2±n/a nM
Citation
Mitsumori, S; Tsuri, T; Honma, T; Hiramatsu, Y; Okada, T; Hashizume, H; Kida, S; Inagaki, M; Arimura, A; Yasui, K; Asanuma, F; Kishino, J; Ohtani, M Synthesis and biological activity of various derivatives of a novel class of potent, selective, and orally active prostaglandin D2 receptor antagonists. 2. 6,6-Dimethylbicyclo[3.1.1]heptane derivatives. J Med Chem 46:2446-55 (2003) [PubMed] Article
More Info.:
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:
BDBM50128767
Synonyms:
7-{2-[(6-Hydroxy-benzo[b]thiophene-3-carbonyl)-amino]-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid | CHEMBL84452
Type:
Small organic molecule
Emp. Form.:
C25H31NO4S
Mol. Mass.:
441.583
SMILES:
CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3cc(O)ccc13)[C@@H](C\C=C\CCCC(O)=O)C2