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Target
Apelin receptor
Ligand
BDBM481028
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
160±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:
BDBM481028
Synonyms:
US10906890, Example 39.0
Type:
Small organic molecule
Emp. Form.:
C26H26F2N6O7S
Mol. Mass.:
604.582
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc3OC(F)(F)Oc3c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(6.56,-3.7,;5.22,-2.93,;5.22,-1.39,;3.89,-.62,;3.89,.92,;2.56,-1.39,;3.89,-2.16,;1.22,-2.16,;1.22,-.62,;-.24,-1.09,;-.72,-2.56,;-2.26,-2.56,;-2.73,-1.09,;-4.27,-1.09,;-5.04,.24,;-6.58,.24,;-7.35,-1.09,;-8.86,-1.41,;-9.02,-2.94,;-10.56,-2.94,;-9.24,-4.43,;-7.61,-3.57,;-6.58,-2.43,;-5.04,-2.43,;-1.49,-.19,;-1.49,1.35,;-2.82,2.12,;-4.15,1.35,;-5.49,2.12,;-2.82,3.66,;-1.49,4.43,;-.15,3.66,;-.15,2.12,;1.18,1.35,;2.51,2.12,;6.56,-.62,;7.89,-1.39,;9.23,-.62,;9.23,.92,;10.56,1.69,;7.89,1.69,;6.56,.92,)|
Structure:
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