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Target
Prostacyclin receptor
Ligand
BDBM50235375
Substrate
n/a
Meas. Tech.
ChEMBL_1655792 (CHEMBL4005262)
EC50
535±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:
PI2R_RAT | Prostacyclin receptor | Prostaglandin I2 | Ptgir
Type:
Enzyme Catalytic Domain
Mol. Mass.:
44673.87
Organism:
RAT
Description:
Prostaglandin I2 PTGIR RAT::P43253
Residue:
416
Sequence:
MVASGGRPDGPPSITPESPLIVGGREWQGMAGSCWNITYVQDSVGPATSTLMFVAGVVGNGLALGILGARRRSHPSAFAVLVTGLAVTDLLGTCFLSPAVFVAYARNSSLLGLAHGGTMLCDTFAFAMTFFGLASTLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCCLFCSLPLLGLGEHQQYCPGSWCFIRMRSPQPGGCAFSLAYASLMALLVTSIFFCNGSVTLSLCHMYRQQRRHHGSFVPTSRAREDEVYHLILLALMTGIMAVCSLPLTIRGFTQAIAPDSREMGDLHAFRFNAFNPILDPWVFILFRKAVFQRLKFWLCCLCARSVHGDLQTPLSRPVSGRRDTLAPDSLQAKEGNWVPLSTWGTGQVAPLTAVPLSGGDGCSVGMPSKTEAVVACSLC
  
Inhibitor
Name:
BDBM50235375
Synonyms:
CHEMBL3975122
Type:
Small organic molecule
Emp. Form.:
C23H26FNO5
Mol. Mass.:
415.4546
SMILES:
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1 |r,wU:6.5,wD:9.9,(31.35,-33.64,;30.02,-34.41,;30.02,-35.95,;28.69,-33.64,;28.69,-32.1,;27.35,-31.33,;26.02,-32.1,;26.02,-33.64,;24.69,-34.41,;23.35,-33.64,;22.02,-34.41,;20.68,-33.64,;19.35,-34.41,;19.35,-35.95,;18.02,-33.64,;18.02,-32.1,;16.68,-31.33,;16.68,-29.79,;18.02,-29.02,;19.35,-29.79,;19.35,-31.33,;16.68,-34.41,;16.68,-35.95,;15.35,-36.72,;14.02,-35.95,;12.68,-36.72,;14.02,-34.41,;15.35,-33.64,;23.35,-32.1,;24.69,-31.33,)|
Structure:
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