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Target
Prostacyclin receptor
Ligand
BDBM50235388
Substrate
n/a
Meas. Tech.
ChEMBL_1655792 (CHEMBL4005262)
EC50
2720±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:
BDBM50235388
Synonyms:
CHEMBL3943791
Type:
Small organic molecule
Emp. Form.:
C23H24ClF2NO5
Mol. Mass.:
467.89
SMILES:
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1 |r,wU:6.5,wD:9.9,(13.25,-32.89,;14.59,-32.12,;14.59,-30.58,;15.92,-32.89,;15.92,-34.43,;17.26,-35.2,;18.59,-34.43,;18.59,-32.89,;19.92,-32.12,;21.26,-32.89,;22.59,-32.12,;23.92,-32.89,;25.26,-32.12,;25.26,-30.58,;26.59,-32.89,;26.59,-34.43,;25.26,-35.2,;25.26,-36.74,;26.59,-37.51,;27.92,-36.74,;29.26,-37.51,;27.92,-35.2,;27.92,-32.12,;29.26,-32.89,;30.59,-32.12,;30.59,-30.58,;31.93,-29.81,;29.26,-29.81,;29.26,-28.27,;27.92,-30.58,;21.26,-34.43,;19.92,-35.2,)|
Structure:
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