Reaction Details Report a problem with these data
Target
G_PROTEIN_RECEP_F1_2 domain-containing protein
Ligand
BDBM405271
Substrate
n/a
Meas. Tech.
Activity Assay
IC50
0.270±n/a nM
Citation
 Lu, H; Sun, P; Gui, B; Dong, Q Pyrazolopyrimidone or Pyrrolotriazone derivatives, method of preparing same, and pharmaceutical applications thereof US Patent  US10344034 Publication Date 7/9/2019 
Target
Name:
G_PROTEIN_RECEP_F1_2 domain-containing protein
Synonyms:
GNRHR | G_PROTEIN_RECEP_F1_2 domain-containing protein | Gonadotropin releasing hormone receptor (GNRHR)
Type:
Protein
Mol. Mass.:
38055.85
Organism:
Oryctolagus cuniculus (Rabbit)
Description:
G1TCS6
Residue:
328
Sequence:
MENSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVIVTFFLFLLSTTFNASFLLKLQKWTQKKEKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYGGEILCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLAVKSNDKLEQSMIALAWILSSVFAGPQLYIFRMIHLTNGYGQTEVFSQCVTHCSFPQWWQQAFYNFFTFSCLFLIPLLIMLICNVKIIFTLTRVLHQDHHKLQLNQSKNNIPRARLRTLKMTVAFATSFIVCWTPYYVLGIWYWFDPEMLNKVSDPVNHFFFLFAFLNPCFDPLIYGYFSL
  
Inhibitor
Name:
BDBM405271
Synonyms:
1-(4-(3-((dimethylamino)methyl)-5-(2-fluoro-3-methoxyphenyl)-7-(2-fluoro-6-(trifluoromethyl)benzyl)-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-2-yl)phenyl)-3-methylurea | US10344034, Example 8 | US10633388, Example 8
Type:
Small organic molecule
Emp. Form.:
C31H28F5N7O4
Mol. Mass.:
657.5905
SMILES:
CNC(=O)Nc1ccc(cc1)-n1nc2n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(-c3cccc(OC)c3F)c(=O)c2c1CN(C)C |(-9.14,-1.9,;-8.37,-.56,;-6.83,-.56,;-6.06,-1.9,;-6.06,.77,;-4.52,.77,;-3.75,-.56,;-2.21,-.56,;-1.44,.77,;-2.21,2.1,;-3.75,2.1,;.1,.77,;1.01,-.48,;2.47,,;3.8,-.77,;3.8,-2.31,;5.14,-3.08,;6.47,-2.31,;7.81,-1.54,;7.81,-3.08,;7.81,-4.62,;6.47,-5.39,;5.14,-4.62,;3.8,-5.39,;2.47,-4.62,;3.8,-6.93,;5.14,-6.16,;5.14,,;6.47,-.77,;5.14,1.54,;6.47,2.31,;7.81,1.54,;9.14,2.31,;9.14,3.85,;7.81,4.62,;7.81,6.16,;6.47,6.93,;6.47,3.85,;5.14,4.62,;3.8,2.31,;3.8,3.85,;2.47,1.54,;1.01,2.02,;.61,3.5,;-.88,3.9,;-1.28,5.39,;-1.97,2.81,)|
Structure:
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