Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481066
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
2.40±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:
BDBM481066
Synonyms:
US10906890, Example 78.0
Type:
Small organic molecule
Emp. Form.:
C26H30N6O5S
Mol. Mass.:
538.619
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc(C)cc2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.52,-3.92,;4.19,-3.15,;4.19,-1.61,;2.85,-.84,;2.85,.7,;1.52,-1.61,;.19,-2.38,;2.85,-2.38,;.19,-.84,;-1.15,-1.61,;-1.62,-3.07,;-3.16,-3.07,;-3.64,-1.61,;-5.1,-1.13,;-5.42,.37,;-6.89,.85,;-8.03,-.18,;-9.52,.11,;-7.71,-1.69,;-6.25,-2.16,;-2.39,-.7,;-2.39,.84,;-3.73,1.61,;-5.06,.84,;-6.4,1.61,;-3.73,3.15,;-2.39,3.92,;-1.06,3.15,;-1.06,1.61,;.27,.84,;1.61,1.61,;5.52,-.84,;6.85,-1.61,;8.19,-.84,;8.19,.7,;9.52,1.47,;6.85,1.47,;5.52,.7,)|
Structure:
Search PDB for entries with ligand similarity: