Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481067
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
3.80±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:
BDBM481067
Synonyms:
US10906890, Example 79.0
Type:
Small organic molecule
Emp. Form.:
C27H32N6O7S
Mol. Mass.:
584.644
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cc(OC)ccc2OC)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(5.1,-3.8,;3.76,-3.03,;3.76,-1.49,;2.43,-.72,;2.43,.82,;1.1,-1.49,;-.24,-2.26,;2.43,-2.26,;-.24,-.72,;-1.57,-1.49,;-2.05,-2.96,;-3.59,-2.96,;-4.06,-1.49,;-5.53,-1.02,;-5.85,.49,;-7.31,.96,;-7.63,2.47,;-9.1,2.95,;-8.46,-.07,;-8.14,-1.57,;-6.67,-2.05,;-6.35,-3.56,;-4.89,-4.03,;-2.82,-.59,;-2.82,.95,;-4.15,1.72,;-5.49,.95,;-6.82,1.72,;-4.15,3.26,;-2.82,4.03,;-1.48,3.26,;-1.48,1.72,;-.15,.95,;1.18,1.72,;5.1,-.72,;6.43,-1.49,;7.76,-.72,;7.76,.82,;9.1,1.59,;6.43,1.59,;5.1,.82,)|
Structure:
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