Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM422180
Substrate
n/a
Meas. Tech.
ChEMBL_2102445 (CHEMBL4810841)
EC50
0.020000±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:
BDBM422180
Synonyms:
2-butyl-1-(2,6- dimethoxyphenyl)-6- hydroxy-5-[4-(2-oxo- 1,2-dihydropyridin-1- yl)benzenesulfonyl]- 1,4-dihydropyrimidin-4- one | US10508104, Example 72
Type:
Small organic molecule
Emp. Form.:
C27H27N3O7S
Mol. Mass.:
537.584
SMILES:
CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1ccccc1=O |(-8.67,.77,;-7.34,,;-6,.77,;-4.67,,;-3.33,.77,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;-.67,.77,;.67,,;-2,,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-6,-2.31,;-3.33,-3.85,;-2,-4.62,;-.67,-3.85,;-.67,-2.31,;.67,-1.54,;2,-2.31,;.67,3.08,;-.1,4.41,;1.44,4.41,;2,2.31,;2,.77,;3.33,,;4.67,.77,;4.67,2.31,;3.33,3.08,;6,,;7.34,.77,;8.67,,;8.67,-1.54,;7.34,-2.31,;6,-1.54,;4.67,-2.31,)|
Structure:
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