Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270184
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
3.60±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:
BDBM270184
Synonyms:
(1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-(pyridin-3-yl)pyrimidin-2-yl)propane-2-sulfonamide | US10058550, Example 752.0 | US10221162, Example 752.0 | US9845310, Example 752.0
Type:
Small organic molecule
Emp. Form.:
C29H30N8O5S
Mol. Mass.:
602.664
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(cn1)-c1cccnc1 |r,wU:2.1,3.3,(3.43,-3.85,;2.08,-3.08,;2.08,-1.54,;.75,-.77,;.75,.77,;-.58,-1.54,;-1.35,-2.87,;.19,-2.87,;-1.92,-.77,;-3.25,-1.54,;-3.25,-3.08,;-4.72,-3.56,;-5.62,-2.31,;-7.11,-1.91,;-8.2,-3,;-9.69,-2.6,;-10.08,-1.11,;-9,-.03,;-9.39,1.46,;-7.51,-.42,;-4.72,-1.06,;-5.12,.42,;-4.03,1.51,;-2.54,1.11,;-1.45,2.2,;-4.43,3,;-5.91,3.4,;-7,2.31,;-6.6,.82,;-8.09,.42,;-8.49,1.91,;3.42,-.77,;4.75,-1.54,;6.08,-.77,;6.08,.77,;4.75,1.54,;3.42,.77,;7.42,1.54,;7.42,3.08,;8.75,3.85,;10.08,3.08,;10.08,1.54,;8.75,.77,)|
Structure:
Search PDB for entries with ligand similarity: