Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270040
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
1.20±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:
BDBM270040
Synonyms:
(1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-ethoxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-ethoxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide | US10058550, Example 601.0 | US10058550, Example 602.0 | US10221162, Example 602.0 | US9845310, Example 602.0
Type:
Small organic molecule
Emp. Form.:
C25H29N7O5S
Mol. Mass.:
539.607
SMILES:
CCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wU:4.4,3.2,(4.81,-11.06,;3.28,-11.23,;2.37,-9.98,;.84,-10.14,;-.07,-8.89,;-1.6,-9.06,;.56,-7.49,;-.85,-6.86,;1.97,-8.11,;1.19,-6.08,;.28,-4.84,;-1.26,-4.84,;-1.73,-3.37,;-.49,-2.47,;-.49,-.93,;.85,-.16,;.85,1.38,;-.49,2.15,;-1.82,1.38,;-1.82,-.16,;.76,-3.37,;2.22,-2.89,;3.37,-3.93,;3.05,-5.43,;4.19,-6.46,;4.83,-3.45,;5.15,-1.94,;4.01,-.91,;2.54,-1.39,;1.4,-.36,;1.72,1.15,;.21,-11.55,;1.12,-12.79,;.49,-14.2,;-1.04,-14.36,;-1.67,-15.77,;-1.95,-13.12,;-1.32,-11.71,)|
Structure:
Search PDB for entries with ligand similarity: