Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481063
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
13.0±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:
BDBM481063
Synonyms:
US10906890, Example 75.0
Type:
Small organic molecule
Emp. Form.:
C27H29N7O6S
Mol. Mass.:
579.627
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc(OC)c(c2)C#N)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.76,-3.92,;4.43,-3.15,;4.43,-1.61,;3.09,-.84,;3.09,.7,;1.76,-1.61,;.43,-2.38,;3.09,-2.38,;.43,-.84,;-.91,-1.61,;-1.38,-3.07,;-2.92,-3.07,;-3.4,-1.61,;-4.86,-1.13,;-5.18,.37,;-6.65,.85,;-7.79,-.18,;-9.26,.3,;-9.58,1.8,;-7.47,-1.69,;-6.01,-2.16,;-8.62,-2.72,;-9.76,-3.75,;-2.15,-.7,;-2.15,.84,;-3.49,1.61,;-4.82,.84,;-6.15,1.61,;-3.49,3.15,;-2.15,3.92,;-.82,3.15,;-.82,1.61,;.51,.84,;1.85,1.61,;5.76,-.84,;7.09,-1.61,;8.43,-.84,;8.43,.7,;9.76,1.47,;7.09,1.47,;5.76,.7,)|
Structure:
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