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Target
Prostacyclin receptor
Ligand
BDBM50235389
Substrate
n/a
Meas. Tech.
ChEMBL_1655797 (CHEMBL4005267)
IC50
30±n/a nM
Citation
 Tran, TA; Kramer, B; Shin, YJ; Vallar, P; Boatman, PD; Zou, N; Sage, CR; Gharbaoui, T; Krishnan, A; Pal, B; Shakya, SR; Garrido Montalban, A; Adams, JW; Ramirez, J; Behan, DP; Shifrina, A; Blackburn, A; Leakakos, T; Shi, Y; Morgan, M; Sadeque, A; Chen, W; Unett, DJ; Gaidarov, I; Chen, X; Chang, S; Shu, HH; Tung, SF; Semple, G Discovery of 2-(((1r,4r)-4-(((4-Chlorophenyl)(phenyl)carbamoyl)oxy)methyl)cyclohexyl)methoxy)acetate (Ralinepag): An Orally Active Prostacyclin Receptor Agonist for the Treatment of Pulmonary Arterial Hypertension. J Med Chem 60:913-927 (2017) [PubMed]  Article 
Target
Name:
Prostacyclin receptor
Synonyms:
PGI receptor | PI2R_HUMAN | PRIPR | PTGIR | Prostacyclin (IP) Receptor | Prostacyclin receptor | Prostaglandin I | Prostaglandin I2 | Prostaglandin I2 receptor | Prostanoid IP receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
40968.22
Organism:
Homo sapiens (Human)
Description:
The membranes prepared from human platelet were used in binding assay.
Residue:
386
Sequence:
MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
  
Inhibitor
Name:
BDBM50235389
Synonyms:
CHEMBL3983767
Type:
Small organic molecule
Emp. Form.:
C23H25F2NO5
Mol. Mass.:
433.4451
SMILES:
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.69,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.69,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.69,-33.67,;21.35,-34.44,;20.02,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.02,-31.36,;16.02,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.02,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.02,-35.98,;22.69,-32.13,;24.02,-31.36,)|
Structure:
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