Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481038
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
94.0±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:
BDBM481038
Synonyms:
US10906890, Example 49.0
Type:
Small organic molecule
Emp. Form.:
C24H25F3N8O4S
Mol. Mass.:
578.567
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1-c1cccc(c1)C(F)(F)F |r,wU:18.19,16.17,(-5.41,.77,;-3.94,.29,;-2.8,1.32,;-3.12,2.83,;-1.97,3.86,;-.51,3.38,;-.19,1.88,;1.27,1.4,;2.42,2.43,;-1.33,.85,;-1.01,-.66,;.39,-1.29,;1.73,-.52,;3.06,-1.29,;2.29,-2.62,;4.39,-2.06,;3.83,.05,;3.06,1.38,;5.37,.05,;6.14,-1.29,;6.14,1.38,;5.37,2.71,;6.14,4.05,;7.68,4.05,;8.45,5.38,;8.45,2.71,;7.68,1.38,;.23,-2.82,;-1.27,-3.14,;-2.04,-1.8,;-3.58,-1.64,;-4.2,-.24,;-5.73,-.08,;-6.64,-1.32,;-6.01,-2.73,;-4.48,-2.89,;-6.92,-3.97,;-6.29,-5.38,;-8.45,-3.81,;-7.82,-5.22,)|
Structure:
Search PDB for entries with ligand similarity: