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Target
Prostacyclin receptor
Ligand
BDBM50235391
Substrate
n/a
Meas. Tech.
ChEMBL_1655792 (CHEMBL4005262)
EC50
3190±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:
BDBM50235391
Synonyms:
CHEMBL3914174
Type:
Small organic molecule
Emp. Form.:
C23H25ClFNO5
Mol. Mass.:
449.9
SMILES:
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1 |r,wU:6.5,wD:9.9,(30.68,-33.67,;29.35,-34.44,;29.35,-35.98,;28.02,-33.67,;28.02,-32.13,;26.68,-31.36,;25.35,-32.13,;25.35,-33.67,;24.02,-34.44,;22.68,-33.67,;21.35,-34.44,;20.01,-33.67,;18.68,-34.44,;18.68,-35.98,;17.35,-33.67,;17.35,-32.13,;16.01,-31.36,;16.01,-29.82,;17.35,-29.05,;17.35,-27.51,;18.68,-29.82,;18.68,-31.36,;16.01,-34.44,;14.68,-33.67,;13.35,-34.44,;13.35,-35.98,;14.68,-36.75,;14.68,-38.29,;16.01,-35.98,;22.68,-32.13,;24.02,-31.36,)|
Structure:
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