Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270034
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.370±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:
BDBM270034
Synonyms:
(1S,2S)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide or (1R,2R)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide | US10058550, Example 593.0
Type:
Small organic molecule
Emp. Form.:
C23H24ClN7O5S
Mol. Mass.:
545.999
SMILES:
CO[C@@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:2.1,wD:3.3,(-3.39,.65,;-2.48,1.89,;-.95,1.73,;-.04,2.98,;1.49,2.82,;-.67,4.39,;-2.08,3.76,;.74,5.01,;-1.3,5.79,;-.39,7.04,;1.15,7.04,;1.62,8.5,;.38,9.41,;.38,10.95,;1.71,11.72,;1.71,13.26,;.38,14.03,;-.95,13.26,;-.95,11.72,;-.87,8.5,;-2.33,8.98,;-2.65,10.49,;-1.51,11.52,;-1.83,13.02,;-4.12,10.96,;-5.26,9.93,;-4.94,8.42,;-3.48,7.95,;-3.16,6.44,;-4.3,5.41,;-.32,.33,;1.21,.17,;1.84,-1.24,;.93,-2.49,;1.56,-3.89,;-.6,-2.33,;-1.23,-.92,)|
Structure:
Search PDB for entries with ligand similarity: