Ki Summary

Reaction Details

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Target

Prostacyclin receptor

Ligand

BDBM50235380

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1655810 (CHEMBL4005280)

400±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 Chem60:913-927 (2017) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Prostacyclin receptor

Name:

Prostacyclin receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

40968.22

Organism:

Homo sapiens (Human)

Description:

The membranes prepared from human platelet were used in binding assay.

Residue:

386

Sequence:

MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATD
LLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLA
LSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPG
GAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLIL
LALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVF
QRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPL
PPTQQSSGSAVGTSSKAEASVACSLC

BDBM50235380

n/a

Name

BDBM50235380

Synonyms:

CHEMBL3917503

Type

Small organic molecule

Emp. Form.

C25H31ClN2O7S

Mol. Mass.

539.041

SMILES

OS(=O)(=O)CCNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:15.15,wD:12.11,(32.65,-26.35,;31.1,-26.35,;29.77,-25.58,;31.1,-24.81,;30.34,-27.69,;31.11,-29.02,;30.34,-30.36,;28.8,-30.36,;28.03,-29.02,;28.03,-31.69,;28.8,-33.02,;28.03,-34.36,;26.49,-34.36,;25.72,-33.02,;24.18,-33.02,;23.41,-34.36,;21.87,-34.36,;21.1,-35.69,;19.56,-35.69,;18.79,-34.36,;18.79,-37.02,;19.56,-38.36,;18.79,-39.69,;19.56,-41.02,;21.1,-41.02,;21.87,-39.69,;21.1,-38.36,;17.25,-37.02,;16.48,-35.69,;14.94,-35.69,;14.17,-37.02,;12.63,-37.02,;14.94,-38.36,;16.48,-38.36,;24.18,-35.69,;25.72,-35.69,)|

Structure