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Target
Prostacyclin receptor
Ligand
BDBM50235368
Substrate
n/a
Meas. Tech.
ChEMBL_1655797 (CHEMBL4005267)
IC50
22±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
More Info.:
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:
Human
Description:
The membranes prepared from human platelet were used in binding assay.
Residue:
386
Sequence:
MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
Inhibitor
Name:
BDBM50235368
Synonyms:
CHEMBL3893346
Type:
Small organic molecule
Emp. Form.:
C24H29NO6
Mol. Mass.:
427.4902
SMILES:
COc1ccc(cc1)N(C(=O)OC[C@H]1CC[C@H](COCC(O)=O)CC1)c1ccccc1 |r,wU:16.17,wD:13.13,(12.53,-35.95,;13.86,-36.72,;15.19,-35.95,;16.53,-36.72,;17.86,-35.95,;17.86,-34.41,;16.53,-33.64,;15.19,-34.41,;19.19,-33.64,;20.53,-34.41,;20.53,-35.95,;21.86,-33.64,;23.2,-34.41,;24.53,-33.64,;25.86,-34.41,;27.2,-33.64,;27.2,-32.1,;28.53,-31.33,;29.86,-32.1,;29.86,-33.64,;31.2,-34.41,;32.53,-33.64,;31.2,-35.95,;25.86,-31.33,;24.53,-32.1,;19.19,-32.1,;17.86,-31.33,;17.86,-29.79,;19.19,-29.02,;20.53,-29.79,;20.53,-31.33,)|