Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM422160
Substrate
n/a
Meas. Tech.
ChEMBL_2102445 (CHEMBL4810841)
EC50
0.030000±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:
BDBM422160
Synonyms:
N-[4-(4-{[2-butyl-1- (2,6-dimethoxyphenyl)- 6-hydroxy-4-oxo-1,4- dihydropyrimidin-5- yl]sulfonyl}phenyl)pyri- din-2- yl]cyclopropane- carboxamide | US10508104, Example 51
Type:
Small organic molecule
Emp. Form.:
C31H32N4O7S
Mol. Mass.:
604.673
SMILES:
CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccnc(NC(=O)C2CC2)c1 |(-10.77,.77,;-9.44,,;-8.11,.77,;-6.77,,;-5.44,.77,;-5.44,2.31,;-4.1,3.08,;-4.1,4.62,;-2.77,2.31,;-2.77,.77,;-1.44,,;-4.1,,;-4.1,-1.54,;-5.44,-2.31,;-6.77,-1.54,;-8.11,-2.31,;-5.44,-3.85,;-4.1,-4.62,;-2.77,-3.85,;-2.77,-2.31,;-1.44,-1.54,;-.1,-2.31,;-1.44,3.08,;-2.21,4.41,;-.67,4.41,;-.1,2.31,;-.1,.77,;1.23,,;2.56,.77,;2.56,2.31,;1.23,3.08,;3.9,,;3.9,-1.54,;5.23,-2.31,;6.57,-1.54,;6.57,,;7.9,.77,;7.9,2.31,;6.57,3.08,;9.23,3.08,;10.77,3.08,;10,4.41,;5.23,.77,)|
Structure:
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