Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481076
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
23.0±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:
BDBM481076
Synonyms:
US10906890, Example 88.0
Type:
Small organic molecule
Emp. Form.:
C28H31F3N6O6S
Mol. Mass.:
636.643
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(c2)[C@](C)(O)C(F)(F)F)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |wU:19.19,wD:19.21,2.1,3.3,(13.38,-6.31,;11.92,-6.78,;11.6,-8.29,;10.13,-8.77,;9.81,-10.27,;8.99,-7.73,;7.96,-8.88,;10.02,-6.59,;7.85,-6.7,;6.38,-7.18,;5.91,-8.64,;4.37,-8.64,;3.89,-7.18,;2.42,-6.7,;1.28,-7.73,;-.18,-7.26,;-.5,-5.75,;.64,-4.72,;2.1,-5.2,;.32,-3.22,;-1.19,-3.54,;1.83,-2.9,;-0,-1.71,;-.32,-.2,;-1.51,-2.03,;1.51,-1.39,;5.14,-6.27,;5.14,-4.73,;6.47,-3.96,;7.8,-4.73,;9.14,-3.96,;6.47,-2.42,;5.14,-1.65,;3.8,-2.42,;3.8,-3.96,;2.47,-4.73,;1.13,-3.96,;12.74,-9.32,;14.21,-8.84,;15.35,-9.87,;15.03,-11.38,;16.18,-12.41,;13.57,-11.86,;12.42,-10.83,)|
Structure:
Search PDB for entries with ligand similarity: