Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499635
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
12.0±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:
BDBM499635
Synonyms:
US11020395, Example 233.0 | US11020395, Example 234.0 | US11020395, Example 235.0
Type:
Small organic molecule
Emp. Form.:
C27H38N6O6S
Mol. Mass.:
574.692
SMILES:
CO[C@H]1CCC[C@H]1c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:15.16,6.7,2.1,wD:17.18,(-6.13,-2.49,;-7.46,-1.72,;-7.46,-.18,;-8.71,.73,;-8.23,2.19,;-6.69,2.19,;-6.22,.73,;-4.88,-.04,;-4.41,-1.5,;-2.87,-1.5,;-2.39,-.04,;-.91,.36,;.18,-.73,;-.91,-1.82,;.58,-2.22,;1.67,-.33,;2.07,1.16,;2.76,-1.42,;2.36,-2.91,;3.45,-4,;3.05,-5.49,;4.94,-3.6,;4.25,-1.02,;5.34,-2.11,;6.82,-1.71,;7.22,-.23,;8.71,.17,;6.13,.86,;4.65,.47,;-3.64,.87,;-3.64,2.41,;-4.97,3.18,;-6.31,2.41,;-7.64,3.18,;-4.97,4.72,;-3.64,5.49,;-2.31,4.72,;-2.31,3.18,;-.97,2.41,;.36,3.18,)|
Structure:
Search PDB for entries with ligand similarity: