Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269583
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
2.00±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:
BDBM269583
Synonyms:
(1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(1-methylethoxy)-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 97.0 | US10221162, Example 97.0 | US9845310, Example 97.0
Type:
Small organic molecule
Emp. Form.:
C27H33N7O6S
Mol. Mass.:
583.659
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-10.64,-1.82,;-9.16,-2.22,;-8.07,-1.13,;-8.47,.36,;-7.38,1.45,;-5.89,1.05,;-5.49,-.44,;-6.58,-1.53,;-4,-.84,;-3.53,-2.3,;-1.99,-2.3,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-2.76,.07,;-2.76,1.61,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,)|
Structure:
Search PDB for entries with ligand similarity: