Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM480993
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
110±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:
BDBM480993
Synonyms:
US10906890, Example 2.0
Type:
Small organic molecule
Emp. Form.:
C24H25N9O5S
Mol. Mass.:
551.578
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(c2)C#N)n1-c1c(OC)ncnc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.7,-3.84,;4.37,-3.07,;4.37,-1.53,;3.03,-.76,;3.03,.78,;1.7,-1.53,;.93,-2.86,;2.47,-2.86,;.37,-.76,;-.97,-1.53,;-1.44,-2.99,;-2.98,-2.99,;-3.46,-1.53,;-4.95,-1.13,;-5.35,.36,;-6.83,.76,;-7.92,-.33,;-7.54,-1.85,;-6.04,-2.22,;-8.62,-2.94,;-9.71,-4.03,;-2.21,-.62,;-2.21,.92,;-3.55,1.69,;-4.88,.92,;-6.21,1.69,;-3.55,3.23,;-2.21,4,;-.88,3.23,;-.88,1.69,;.45,.92,;1.79,1.69,;5.7,-.76,;7.03,-1.53,;8.37,-.76,;8.37,.78,;9.7,1.55,;7.03,1.55,;5.7,.78,)|
Structure:
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