Reaction Details Report a problem with these data
Target
Prostaglandin D2 receptor 2
Ligand
BDBM50188306
Substrate
n/a
Meas. Tech.
ChEMBL_378634 (CHEMBL868656)
IC50
68±n/a nM
Citation
 Birkinshaw, TN; Teague, SJ; Beech, C; Bonnert, RV; Hill, S; Patel, A; Reakes, S; Sanganee, H; Dougall, IG; Phillips, TT; Salter, S; Schmidt, J; Arrowsmith, EC; Carrillo, JJ; Bell, FM; Paine, SW; Weaver, R Discovery of potent CRTh2 (DP2) receptor antagonists. Bioorg Med Chem Lett 16:4287-90 (2006) [PubMed]  Article 
Target
Name:
Prostaglandin D2 receptor 2
Synonyms:
CD_antigen=CD294 | CRTH2 | Chemoattractant Receptor-homologous molecule expressed on T-helper type 2 cells (CRTH2) | Chemoattractant receptor-homologous molecule expressed on Th2 cells | Chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) | DL1R | G protein-coupled receptor 44 | G-protein coupled receptor 44 | GPR44 | PD2R2_HUMAN | PTGDR2 | Prostaglandin D2 | Prostaglandin D2 receptor 2 | Prostaglandin D2 receptor 2 (PGD2)
Type:
Enzyme
Mol. Mass.:
43295.45
Organism:
Homo sapiens (Human)
Description:
Q9Y5Y4
Residue:
395
Sequence:
MSANATLKPLCPILEQMSRLQSHSNTSIRYIDHAAVLLHGLASLLGLVENGVILFVVGCRMRQTVVTTWVLHLALSDLLASASLPFFTYFLAVGHSWELGTTFCKLHSSIFFLNMFASGFLLSAISLDRCLQVVRPVWAQNHRTVAAAHKVCLVLWALAVLNTVPYFVFRDTISRLDGRIMCYYNVLLLNPGPDRDATCNSRQVALAVSKFLLAFLVPLAIIASSHAAVSLRLQHRGRRRPGRFVRLVAAVVAAFALCWGPYHVFSLLEARAHANPGLRPLVWRGLPFVTSLAFFNSVANPVLYVLTCPDMLRKLRRSLRTVLESVLVDDSELGGAGSSRRRRTSSTARSASPLALCSRPEEPRGPARLLGWLLGSCAASPQTGPLNRALSSTSS
  
Inhibitor
Name:
BDBM50188306
Synonyms:
2-(2,5-dimethyl-3-(6-(trifluoromethyl)quinolin-4-yl)-1H-indol-1-yl)acetic acid | CHEMBL384962
Type:
Small organic molecule
Emp. Form.:
C22H17F3N2O2
Mol. Mass.:
398.3778
SMILES:
Cc1c(-c2ccnc3ccc(cc23)C(F)(F)F)c2cc(C)ccc2n1CC(O)=O |(-.91,-35.57,;-2.45,-35.58,;-3.36,-36.84,;-2.87,-38.3,;-1.37,-38.6,;-.88,-40.06,;-1.91,-41.22,;-3.42,-40.91,;-4.43,-42.05,;-5.92,-41.74,;-6.41,-40.29,;-5.39,-39.14,;-3.9,-39.45,;-7.92,-39.98,;-9.42,-39.57,;-8.28,-41.48,;-7.55,-38.48,;-4.84,-36.37,;-6.18,-37.14,;-7.51,-36.37,;-8.84,-37.13,;-7.51,-34.82,;-6.18,-34.05,;-4.84,-34.81,;-3.37,-34.33,;-2.9,-32.87,;-1.39,-32.54,;-.35,-33.68,;-.91,-31.07,)|
Structure:
Search PDB for entries with ligand similarity: