Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269527
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
1.30±n/a nM
Comments
extracted
Citation
 Chen, N; Chen, X; Chen, Y; Fu, Z; Heath, JA; Horne, DB; Kaller, MR; Khakoo, AY; Kopecky, DJ; Ma, Z; Mihalic, JT; Swaminath, G; Wang, X; Yeh, W Methods of treating heart failure US Patent  US10058550 Publication Date 8/28/2018 
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:
BDBM269527
Synonyms:
(1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide | US10058550, Example 44.0 | US10221162, Example 44.0
Type:
Small organic molecule
Emp. Form.:
C24H27N7O5S
Mol. Mass.:
525.58
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wU:3.3,2.1,(6.75,-2.28,;5.21,-2.28,;4.44,-.95,;2.9,-.95,;2.13,.38,;2.13,-2.28,;1.36,-3.62,;3.47,-3.05,;.8,-1.51,;-.53,-2.28,;-.53,-3.82,;-2,-4.3,;-2.9,-3.05,;-4.44,-3.05,;-5.21,-1.72,;-6.75,-1.72,;-7.52,-3.05,;-6.75,-4.39,;-5.21,-4.39,;-2,-1.81,;-2.4,-.32,;-3.88,.08,;-4.97,-1.01,;-6.46,-.61,;-4.28,1.57,;-3.19,2.66,;-1.71,2.26,;-1.31,.77,;.18,.37,;1.27,1.46,;5.21,.39,;4.44,1.72,;5.21,3.05,;6.75,3.05,;7.52,4.39,;7.52,1.72,;6.75,.38,)|
Structure:
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