Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM422120
Substrate
n/a
Meas. Tech.
ChEMBL_2102445 (CHEMBL4810841)
EC50
0.050000±n/a nM
Citation
 Tora, G; Jiang, J; Bostwick, JS; Gargalovic, PS; Onorato, JM; Luk, CE; Generaux, C; Xu, C; Galella, MA; Wang, T; He, Y; Wexler, RR; Finlay, HJ Identification of 6-hydroxy-5-phenyl sulfonylpyrimidin-4(1H)-one APJ receptor agonists. Bioorg Med Chem Lett 50:0 (2021) [PubMed]  Article 
Target
Name:
Apelin receptor
Synonyms:
AGTRL1 | APJ | APJ_HUMAN | APLNR | Angiotensin receptor-like 1 | Apelin receptor | Apelin receptor (APJ) | G-protein coupled receptor APJ | G-protein coupled receptor HG11
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42664.06
Organism:
Homo sapiens (Human)
Description:
P35414
Residue:
380
Sequence:
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
  
Inhibitor
Name:
BDBM422120
Synonyms:
1-(2,6- dimethoxyphenyl)-5-[4- (6-fluoropyridin-3- yl)benzenesulfonyl]-6- hydroxy-2-(3- methylbutyl)-1,4- dihydropyrimidin-4-one | US10508104, Example 13
Type:
Small organic molecule
Emp. Form.:
C28H28FN3O6S
Mol. Mass.:
553.602
SMILES:
COc1cccc(OC)c1-n1c(O)c(c(=O)nc1CCC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccc(F)nc1 |(-6.67,-2.31,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-4,2.31,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-9.34,.77,;-8,-1.54,;,3.08,;-.77,4.41,;.77,4.41,;1.33,2.31,;1.33,.77,;2.67,,;4,.77,;4,2.31,;2.67,3.08,;5.33,,;5.33,-1.54,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;8,,;6.67,.77,)|
Structure:
Search PDB for entries with ligand similarity: