Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499638
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
0.990±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:
BDBM499638
Synonyms:
US11020395, Example 236.0
Type:
Small organic molecule
Emp. Form.:
C25H31ClN6O5S
Mol. Mass.:
563.069
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CC3(CCC3)C2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(5.53,-3.92,;4.19,-3.15,;4.19,-1.61,;2.86,-.84,;2.86,.7,;1.53,-1.61,;.76,-2.94,;2.3,-2.94,;.19,-.84,;-1.14,-1.61,;-1.62,-3.07,;-3.16,-3.07,;-3.63,-1.61,;-5.17,-1.61,;-6.26,-.52,;-7.35,-1.61,;-8.44,-.52,;-9.53,-1.61,;-8.44,-2.7,;-6.26,-2.7,;-2.39,-.7,;-2.39,.84,;-3.72,1.61,;-5.05,.84,;-6.39,1.61,;-3.72,3.15,;-2.39,3.92,;-1.05,3.15,;-1.05,1.61,;.28,.84,;1.61,1.61,;5.53,-.84,;6.86,-1.61,;8.19,-.84,;8.19,.7,;9.53,1.47,;6.86,1.47,;5.53,.7,)|
Structure:
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