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Target
Prostacyclin receptor
Ligand
BDBM50235377
Substrate
n/a
Meas. Tech.
ChEMBL_1655792 (CHEMBL4005262)
EC50
1330±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:
BDBM50235377
Synonyms:
CHEMBL3890685
Type:
Small organic molecule
Emp. Form.:
C23H25ClFNO5
Mol. Mass.:
449.9
SMILES:
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1 |r,wU:6.5,wD:9.9,(31.35,-32.86,;30.02,-33.63,;30.02,-35.17,;28.69,-32.86,;28.69,-31.32,;27.35,-30.55,;26.02,-31.32,;26.02,-32.86,;24.69,-33.63,;23.35,-32.86,;22.02,-33.63,;20.68,-32.86,;19.35,-33.63,;19.35,-35.17,;18.02,-32.86,;18.02,-31.32,;16.68,-30.55,;16.68,-29.01,;18.02,-28.24,;19.35,-29.01,;19.35,-30.55,;16.68,-33.63,;15.35,-32.86,;14.02,-33.63,;14.02,-35.17,;12.68,-35.94,;15.35,-35.94,;15.35,-37.48,;16.68,-35.17,;23.35,-31.32,;24.69,-30.55,)|
Structure:
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