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Target
Apelin receptor
Ligand
BDBM269899
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.530±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:
BDBM269899
Synonyms:
(1R,2S)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-ethoxy-2-propanesulfonamide | US10058550, Example 605.0
Type:
Small organic molecule
Emp. Form.:
C24H26ClN7O5S
Mol. Mass.:
560.025
SMILES:
CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wD:4.4,3.2,(3.83,-5.77,;2.3,-5.93,;1.39,-4.68,;-.14,-4.84,;-1.04,-3.6,;-2.57,-3.76,;-.42,-2.19,;-1.82,-1.56,;.99,-2.81,;.21,-.78,;-.69,.46,;-2.23,.46,;-2.71,1.93,;-1.46,2.83,;-1.46,4.37,;-.13,5.14,;-.13,6.68,;-1.46,7.45,;-2.8,6.68,;-2.8,5.14,;-.22,1.93,;1.25,2.41,;2.39,1.37,;2.07,-.13,;3.21,-1.16,;3.85,1.85,;4.17,3.36,;3.03,4.39,;1.57,3.91,;.42,4.94,;.74,6.45,;-.76,-6.25,;.14,-7.49,;-.48,-8.9,;-2.02,-9.06,;-2.64,-10.47,;-2.92,-7.82,;-2.3,-6.41,)|
Structure:
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