Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481070
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
>4200±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:
BDBM481070
Synonyms:
US10906890, Example 82.0
Type:
Small organic molecule
Emp. Form.:
C31H32N6O6S
Mol. Mass.:
616.687
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc(Oc3ccccc3)cc2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.39,-3.92,;6.05,-3.15,;6.05,-1.61,;4.72,-.84,;4.72,.7,;3.38,-1.61,;2.05,-2.38,;4.72,-2.38,;2.05,-.84,;.72,-1.61,;.24,-3.07,;-1.3,-3.07,;-1.77,-1.61,;-3.24,-1.13,;-3.56,.37,;-5.02,.85,;-6.17,-.18,;-7.63,.3,;-8.78,-.73,;-10.24,-.26,;-11.39,-1.29,;-11.07,-2.8,;-9.6,-3.27,;-8.46,-2.24,;-5.85,-1.69,;-4.38,-2.16,;-.53,-.7,;-.53,.84,;-1.86,1.61,;-3.2,.84,;-4.53,1.61,;-1.86,3.15,;-.53,3.92,;.8,3.15,;.8,1.61,;2.14,.84,;3.47,1.61,;7.39,-.84,;8.72,-1.61,;10.05,-.84,;10.05,.7,;11.39,1.47,;8.72,1.47,;7.39,.7,)|
Structure:
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