Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269671
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.120±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:
BDBM269671
Synonyms:
(2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-(2,2,2-trifluoroethoxy)-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-fluoro-2-pyrimidinyl)-2-butanesulfonamide | US10058550, Example 185.0 | US10221162, Example 185.0 | US9845310, Example 185.0
Type:
Small organic molecule
Emp. Form.:
C25H25F4N7O5S
Mol. Mass.:
611.569
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cccc(OCC(F)(F)F)n1 |r,wU:16.17,18.19,(1.27,3.56,;.18,2.48,;-1.31,2.87,;-1.71,4.36,;-3.19,4.76,;-4.28,3.67,;-3.88,2.18,;-4.97,1.09,;-6.46,1.49,;-2.4,1.78,;-2,.3,;-.53,-.18,;.8,.59,;2.13,-.18,;1.36,-1.51,;3.47,-.95,;2.9,1.15,;2.13,2.49,;4.44,1.15,;5.21,-.18,;5.21,2.49,;6.75,2.49,;7.52,3.82,;6.75,5.16,;7.52,6.49,;5.21,5.16,;4.44,3.82,;-.53,-1.72,;-2,-2.19,;-2.9,-.95,;-4.44,-.95,;-5.21,.38,;-6.75,.38,;-7.52,-.95,;-6.75,-2.28,;-7.52,-3.62,;-9.06,-3.62,;-9.83,-4.95,;-10.6,-6.28,;-11.17,-4.18,;-8.5,-5.72,;-5.21,-2.28,)|
Structure:
Search PDB for entries with ligand similarity: