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Target
Apelin receptor
Ligand
BDBM499498
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
179000±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:
BDBM499498
Synonyms:
US11020395, Example 58.0
Type:
Small organic molecule
Emp. Form.:
C20H24ClFN8O5S
Mol. Mass.:
542.972
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2CC[C@@H]2F)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,16.17,wD:13.12,(4.5,1.22,;3.17,1.99,;3.17,3.53,;1.84,4.3,;1.84,5.84,;.5,3.53,;-.83,2.76,;1.84,2.76,;-.83,4.3,;-2.3,3.82,;-2.77,2.36,;-4.31,2.36,;-4.79,3.82,;-6.33,3.82,;-7.42,4.91,;-8.51,3.82,;-7.42,2.73,;-7.42,1.19,;-3.54,4.73,;-3.54,6.27,;-4.87,7.04,;-6.21,6.27,;-7.54,7.04,;-4.87,8.58,;-3.54,9.35,;-2.21,8.58,;-2.21,7.04,;-.87,6.27,;.46,7.04,;4.5,4.3,;5.84,3.53,;7.17,4.3,;7.17,5.84,;8.51,6.61,;5.84,6.61,;4.5,5.84,)|
Structure:
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