Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269898
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:
BDBM269898
Synonyms:
(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-ethoxypropane-2-sulfonamide | US10058550, Example 430.0 | US10221162, Example 605.0 | US9845310, Example 430.0
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,wU:4.4,3.2,(4.81,-4.75,;4.81,-3.21,;3.48,-2.44,;3.48,-.9,;2.14,-.13,;2.14,1.41,;.81,-.9,;.04,-2.24,;1.58,-2.24,;-.52,-.13,;-1.86,-.9,;-2.33,-2.37,;-3.87,-2.37,;-4.35,-.9,;-5.84,-.5,;-6.24,.98,;-7.72,1.38,;-8.81,.29,;-8.41,-1.2,;-6.93,-1.59,;-3.1,0,;-3.5,1.78,;-2.41,2.87,;-1.08,2.1,;.25,2.87,;-2.81,4.35,;-4.3,4.75,;-5.39,3.66,;-4.99,2.18,;-6.48,1.78,;-6.88,3.27,;4.81,-.13,;6.14,-.9,;7.48,-.13,;7.48,1.41,;8.81,2.18,;6.14,2.18,;4.81,1.41,)|
Structure:
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