Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM480996
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
2.30±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:
BDBM480996
Synonyms:
US10906890, Example 5.0
Type:
Small organic molecule
Emp. Form.:
C23H26N8O4S
Mol. Mass.:
510.569
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccccc1 |r,wU:16.17,18.19,(-6.57,1.18,;-5.24,.41,;-3.9,1.18,;-3.9,2.72,;-2.57,3.49,;-1.23,2.72,;-1.23,1.18,;.1,.41,;1.43,1.18,;-2.57,.41,;-2.57,-1.13,;-1.32,-2.03,;.01,-1.26,;1.34,-2.03,;.26,-3.12,;2.68,-2.8,;2.43,-.94,;2.04,.55,;3.92,-1.34,;4.32,-2.83,;5.01,-.25,;6.5,-.65,;7.59,.44,;7.19,1.93,;8.28,3.02,;5.7,2.33,;4.61,1.24,;-1.8,-3.49,;-3.34,-3.49,;-3.81,-2.03,;-5.3,-1.63,;-5.7,-.14,;-7.19,.25,;-8.28,-.83,;-7.88,-2.32,;-6.39,-2.72,)|
Structure:
Search PDB for entries with ligand similarity: