Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM480995
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
2.90±n/a nM
Citation
 Chen, N; Chen, Y; Debenedetto, MV; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Kreiman, C Triazole phenyl compounds as agonists of the APJ receptor US Patent  US10906890 Publication Date 2/2/2021 
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:
BDBM480995
Synonyms:
US10906890, Example 4.0
Type:
Small organic molecule
Emp. Form.:
C23H26N8O5S
Mol. Mass.:
526.568
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccccc2)n1-c1c(OC)ncnc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(4.81,-3.92,;3.48,-3.15,;3.48,-1.61,;2.14,-.84,;2.14,.7,;.81,-1.61,;.04,-2.94,;1.58,-2.94,;-.52,-.84,;-1.86,-1.61,;-2.33,-3.07,;-3.87,-3.07,;-4.35,-1.61,;-5.84,-1.21,;-6.24,.28,;-7.72,.68,;-8.81,-.41,;-8.41,-1.9,;-6.93,-2.3,;-3.1,-.7,;-3.1,.84,;-4.44,1.61,;-5.77,.84,;-7.1,1.61,;-4.44,3.15,;-3.1,3.92,;-1.77,3.15,;-1.77,1.61,;-.44,.84,;.9,1.61,;4.81,-.84,;6.14,-1.61,;7.48,-.84,;7.48,.7,;8.81,1.47,;6.14,1.47,;4.81,.7,)|
Structure:
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