Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481077
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
0.470±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:
BDBM481077
Synonyms:
US10906890, Example 89.0
Type:
Small organic molecule
Emp. Form.:
C26H27F3N6O6S
Mol. Mass.:
608.589
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC(F)(F)F)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(6.6,-4.26,;5.26,-3.49,;5.26,-1.95,;3.93,-1.18,;3.93,.36,;2.6,-1.95,;1.83,-3.29,;3.37,-3.29,;1.51,-.86,;.02,-1.26,;-.46,-2.73,;-2,-2.73,;-2.47,-1.26,;-3.96,-.86,;-4.36,.62,;-5.84,1.02,;-6.93,-.07,;-6.54,-1.55,;-7.62,-2.64,;-9.11,-2.24,;-10.2,-3.33,;-9.51,-.76,;-10.6,-1.85,;-5.05,-1.95,;-1.23,-.36,;-1.23,1.18,;-2.56,1.95,;-3.89,1.18,;-5.23,1.95,;-2.56,3.49,;-1.23,4.26,;.11,3.49,;.11,1.95,;1.44,1.18,;2.78,1.95,;6.6,-1.18,;7.93,-1.95,;9.27,-1.18,;9.27,.36,;10.6,1.13,;7.93,1.13,;6.6,.36,)|
Structure:
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