Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481026
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
280±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:
BDBM481026
Synonyms:
US10906890, Example 35.0
Type:
Small organic molecule
Emp. Form.:
C25H26ClN7O4S
Mol. Mass.:
556.036
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H]2CCCN(C2)c2ncc(Cl)cn2)nnc1-c1ccccc1 |r,wU:16.16,(-8.73,7.57,;-7.4,6.8,;-6.06,7.57,;-6.06,9.11,;-4.73,9.88,;-3.4,9.11,;-3.4,7.57,;-2.06,6.8,;-.73,7.57,;-4.73,6.8,;-4.73,5.26,;-3.49,4.35,;-2,4.75,;-.91,3.66,;-2,2.57,;.18,2.57,;.18,4.75,;-.22,6.24,;.87,7.33,;2.36,6.93,;2.76,5.44,;1.67,4.35,;4.24,5.04,;4.64,3.55,;6.13,3.16,;7.22,4.24,;8.71,3.85,;6.82,5.73,;5.33,6.13,;-3.96,2.89,;-5.5,2.89,;-5.98,4.35,;-7.46,4.75,;-8.55,3.66,;-10.04,4.06,;-10.44,5.55,;-9.35,6.64,;-7.86,6.24,)|
Structure:
Search PDB for entries with ligand similarity: