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Target
Apelin receptor
Ligand
BDBM499564
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
1200±n/a nM
Citation
 Chen, Y; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Ramsden, PD Cycloalkyl substituted triazole compounds as agonists of the APJ receptor US Patent  US11020395 Publication Date 6/1/2021 
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:
BDBM499564
Synonyms:
US11020395, Example 161.0 | US11020395, Example 174.0
Type:
Small organic molecule
Emp. Form.:
C23H31ClN8O6S
Mol. Mass.:
583.06
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CC[C@@H](CC2)OC)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wD:13.12,3.3,16.19,2.1,(2.39,-5.98,;1.48,-4.74,;-.05,-4.9,;-.95,-3.65,;-2.48,-3.81,;-.33,-2.25,;1.08,-2.87,;-1.73,-1.62,;.3,-.84,;-.61,.41,;-2.15,.41,;-2.62,1.87,;-1.38,2.78,;-1.38,4.32,;-2.71,5.09,;-2.71,6.63,;-1.38,7.4,;-.04,6.63,;-.04,5.09,;-1.38,8.94,;.07,9.46,;-.13,1.87,;1.33,2.35,;2.48,1.32,;2.16,-.19,;3.3,-1.22,;3.94,1.79,;4.26,3.3,;3.12,4.33,;1.65,3.85,;.51,4.88,;1.09,6.31,;-.67,-6.31,;.23,-7.55,;-.4,-8.96,;-1.93,-9.12,;-2.55,-10.53,;-2.83,-7.87,;-2.21,-6.47,)|
Structure:
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