Reaction Details Report a problem with these data
Target
Prostacyclin receptor
Ligand
BDBM464512
Substrate
n/a
Meas. Tech.
HTRF assay
EC50
73.0±n/a nM
Citation
 Tran, T; Hayashi, R; Ibarra, JB; Ullman, B; Zou, N Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators US Patent  US10793529 Publication Date 10/6/2020 
Target
Name:
Prostacyclin receptor
Synonyms:
PGI receptor | PI2R_HUMAN | PRIPR | PTGIR | Prostacyclin (IP) Receptor | Prostacyclin receptor | Prostaglandin I | Prostaglandin I2 | Prostaglandin I2 receptor | Prostanoid IP receptor
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:
MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
  
Inhibitor
Name:
BDBM464512
Synonyms:
2-(((1s,4s)-4-((5-(3- chlorophenyl)-3-oxo-6- phenyl-1,2,4-triazin-2(3H)- yl)methyl)cyclohexyl) methoxy)acetic acid | US10793529, Compound 67
Type:
Small organic molecule
Emp. Form.:
C25H26ClN3O4
Mol. Mass.:
467.945
SMILES:
OC(=O)COC[C@H]1CC[C@@H](Cn2nc(-c3ccccc3)c(nc2=O)-c2cccc(Cl)c2)CC1 |r,wU:9.9,6.5,(9.34,-.77,;8,,;8,1.54,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-6.67,3.85,;-8,4.62,;-9.34,3.85,;-9.34,2.31,;-8,1.54,;-5.33,,;-4,-.77,;-2.67,,;-1.33,-.77,;-6.67,-.77,;-8,,;-9.34,-.77,;-9.34,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-2.31,;1.33,2.31,;2.67,1.54,)|
Structure:
Search PDB for entries with ligand similarity: