Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499523
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
0.790±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:
BDBM499523
Synonyms:
US11020395, Example 119.0
Type:
Small organic molecule
Emp. Form.:
C24H31ClN6O5S
Mol. Mass.:
551.058
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CC(C)(C)C2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:2.1,3.3,(4.98,-3.92,;3.65,-3.15,;3.65,-1.61,;2.32,-.84,;2.32,.7,;.98,-1.61,;-.35,-2.38,;2.32,-2.38,;-.35,-.84,;-1.69,-1.61,;-2.16,-3.07,;-3.7,-3.07,;-4.18,-1.61,;-5.72,-1.61,;-6.81,-.52,;-7.9,-1.61,;-8.98,-.52,;-8.98,-2.7,;-6.81,-2.7,;-2.93,-.7,;-2.93,.84,;-4.26,1.61,;-5.6,.84,;-6.93,1.61,;-4.26,3.15,;-2.93,3.92,;-1.6,3.15,;-1.6,1.61,;-.26,.84,;1.07,1.61,;4.98,-.84,;6.32,-1.61,;7.65,-.84,;7.65,.7,;8.98,1.47,;6.32,1.47,;4.98,.7,)|
Structure:
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