Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481031
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
3.40±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:
BDBM481031
Synonyms:
US10906890, Example 42.0
Type:
Small organic molecule
Emp. Form.:
C25H26F2N6O3S
Mol. Mass.:
528.574
SMILES:
CC(C)O[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccccc2)n1-c1c(F)cccc1F)c1ncc(C)cn1 |r,wU:5.5,wD:4.3,(4.96,-4.83,;4.96,-3.29,;6.29,-2.52,;3.62,-2.52,;3.62,-.98,;2.29,-.21,;2.29,1.33,;.95,-.98,;2.29,-1.75,;-.38,-1.75,;-.38,-.21,;-1.84,-.69,;-2.32,-2.16,;-3.86,-2.16,;-4.34,-.69,;-5.88,-.69,;-6.65,.64,;-8.19,.64,;-8.96,-.69,;-8.19,-2.02,;-6.65,-2.02,;-3.09,.21,;-3.09,1.75,;-4.42,2.52,;-5.76,1.75,;-4.42,4.06,;-3.09,4.83,;-1.76,4.06,;-1.76,2.52,;-.42,1.75,;4.96,-.21,;6.29,-.98,;7.62,-.21,;7.62,1.33,;8.96,2.1,;6.29,2.1,;4.96,1.33,)|
Structure:
Search PDB for entries with ligand similarity: