Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM456670
Substrate
n/a
Meas. Tech.
GTPγS Binding
EC50
0.061±n/a nM
Citation
 Brown, M; Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Harvey, JS; Heath, JA; Heumann, LV; Houze, J; Kayser, F; Khakoo, AY; Kopecky, D; Lai, S; Ma, Z; Medina, JC; Mihalic, JT; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Wanska, M; Yeh, W Triazole furan compounds as agonists of the APJ receptor US Patent  US10736883 Publication Date 8/11/2020 
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:
BDBM456670
Synonyms:
US10736883, Example 117.0
Type:
Small organic molecule
Emp. Form.:
C25H30N6O6S
Mol. Mass.:
542.607
SMILES:
CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc(C)o2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:4.4,wD:3.2,(5.36,-4.83,;5.36,-3.29,;4.02,-2.52,;4.02,-.98,;2.69,-.21,;2.69,1.33,;1.35,-.98,;.58,-2.32,;2.12,-2.32,;.02,-.21,;-1.44,-.69,;-1.92,-2.16,;-3.46,-2.16,;-3.94,-.69,;-5.4,-.21,;-5.88,1.25,;-7.42,1.25,;-7.89,-.21,;-9.36,-.69,;-6.65,-1.12,;-2.69,.21,;-2.69,1.75,;-4.02,2.52,;-5.36,1.75,;-6.69,2.52,;-4.02,4.06,;-2.69,4.83,;-1.36,4.06,;-1.36,2.52,;-.02,1.75,;1.31,2.52,;5.36,-.21,;6.69,-.98,;8.02,-.21,;8.02,1.33,;9.36,2.1,;6.69,2.1,;5.36,1.33,)|
Structure:
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