Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481082
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:
BDBM481082
Synonyms:
US10906890, Example 94.0
Type:
Small organic molecule
Emp. Form.:
C24H25ClN10O5S
Mol. Mass.:
601.037
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc3cn(C)nc23)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(1.58,5.97,;.68,4.73,;-.85,4.89,;-1.76,3.64,;-3.29,3.8,;-1.13,2.23,;-2.54,1.61,;.27,2.86,;-.51,.83,;-1.41,-.42,;-2.95,-.42,;-3.43,-1.88,;-2.18,-2.79,;-2.18,-4.33,;-.85,-5.1,;-.85,-6.64,;-2.18,-7.41,;-3.51,-6.64,;-4.98,-7.11,;-5.88,-5.87,;-7.42,-5.87,;-4.98,-4.62,;-3.51,-5.1,;-.93,-1.88,;.53,-2.36,;.85,-3.87,;-.29,-4.9,;.03,-6.4,;2.31,-4.34,;3.46,-3.31,;3.14,-1.8,;1.67,-1.33,;1.35,.18,;2.5,1.21,;-1.48,6.29,;-3.01,6.45,;-3.64,7.86,;-2.73,9.11,;-3.36,10.51,;-1.2,8.95,;-.57,7.54,)|
Structure:
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