Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50567167
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:
BDBM50567167
Synonyms:
CHEMBL4872192
Type:
Small organic molecule
Emp. Form.:
C28H27ClN2O7S
Mol. Mass.:
571.041
SMILES:
CCCCc1[nH]c(=O)c(c(O)c1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(Cl)ccc1=O |(2.32,-5.85,;3.65,-6.62,;4.99,-5.85,;6.33,-6.62,;7.66,-5.85,;7.66,-4.31,;8.99,-3.54,;8.98,-2,;10.32,-4.3,;10.33,-5.85,;11.66,-6.62,;8.99,-6.62,;8.99,-8.16,;10.32,-8.93,;11.66,-8.15,;12.99,-8.92,;10.33,-10.46,;8.99,-11.24,;7.66,-10.47,;7.66,-8.93,;6.32,-8.16,;4.99,-8.93,;11.65,-3.52,;10.87,-2.19,;12.42,-2.18,;12.99,-4.29,;12.99,-5.83,;14.33,-6.59,;15.66,-5.82,;15.65,-4.27,;14.31,-3.51,;16.99,-6.58,;17,-8.12,;18.33,-8.89,;18.34,-10.43,;19.67,-8.11,;19.65,-6.56,;18.32,-5.8,;18.3,-4.26,)|
Structure:
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