Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499611
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
18.0±n/a nM
Citation
 Chen, Y; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Ramsden, PD Cycloalkyl substituted triazole compounds as agonists of the APJ receptor US Patent  US11020395 Publication Date 6/1/2021 
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:
BDBM499611
Synonyms:
US11020395, Example 209.0
Type:
Small organic molecule
Emp. Form.:
C24H30F2N6O5S
Mol. Mass.:
552.594
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OCC(F)F)c2ncc(C)cn2)nnc1C1CCC1 |r,wU:16.17,18.19,(.48,3.07,;-.85,2.3,;-2.19,3.07,;-2.23,4.64,;-3.57,5.41,;-4.9,4.64,;-4.9,3.1,;-6.23,2.33,;-7.41,3.32,;-3.57,2.33,;-3.57,.12,;-2.32,-.79,;-.99,-.02,;.35,-.79,;-.99,-1.56,;1.68,-1.56,;1.68,-.02,;1.68,1.52,;3.01,-.79,;3.01,-2.33,;4.35,-3.1,;4.35,-4.64,;5.68,-5.41,;3.01,-5.41,;4.35,-.02,;5.68,-.79,;7.01,-.02,;7.01,1.52,;8.35,2.29,;5.68,2.29,;4.35,1.52,;-2.8,-2.25,;-4.34,-2.25,;-4.81,-.79,;-6.28,-.31,;-6.98,1.06,;-8.35,.36,;-7.65,-1.01,)|
Structure:
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