Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481069
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
0.270±n/a nM
Citation
 Chen, N; Chen, Y; Debenedetto, MV; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Kreiman, C Triazole phenyl compounds as agonists of the APJ receptor US Patent  US10906890 Publication Date 2/2/2021 
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:
BDBM481069
Synonyms:
US10906890, Example 81.0
Type:
Small organic molecule
Emp. Form.:
C25H27BrN6O5S
Mol. Mass.:
603.488
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.19,-3.92,;3.86,-3.15,;3.86,-1.61,;2.52,-.84,;2.52,.7,;1.19,-1.61,;-.15,-2.38,;2.52,-2.38,;-.15,-.84,;-1.48,-1.61,;-1.96,-3.07,;-3.5,-3.07,;-3.97,-1.61,;-5.44,-1.13,;-5.76,.37,;-7.22,.85,;-8.37,-.18,;-8.05,-1.69,;-9.19,-2.72,;-6.58,-2.16,;-2.73,-.7,;-2.73,.84,;-4.06,1.61,;-5.39,.84,;-6.73,1.61,;-4.06,3.15,;-2.73,3.92,;-1.39,3.15,;-1.39,1.61,;-.06,.84,;1.28,1.61,;5.19,-.84,;6.52,-1.61,;7.86,-.84,;7.86,.7,;9.19,1.47,;6.52,1.47,;5.19,.7,)|
Structure:
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