Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM456669
Substrate
n/a
Meas. Tech.
GTPγS Binding
EC50
0.056±n/a nM
Citation
 Brown, M; Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Harvey, JS; Heath, JA; Heumann, LV; Houze, J; Kayser, F; Khakoo, AY; Kopecky, D; Lai, S; Ma, Z; Medina, JC; Mihalic, JT; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Wanska, M; Yeh, W Triazole furan compounds as agonists of the APJ receptor US Patent  US10736883 Publication Date 8/11/2020 
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:
BDBM456669
Synonyms:
US10736883, Example 116.0
Type:
Small organic molecule
Emp. Form.:
C23H25FN6O6S
Mol. Mass.:
532.545
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccc(C)o2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,2.1,(5.36,-4.06,;4.02,-3.29,;4.02,-1.75,;2.69,-.98,;2.69,.56,;1.35,-1.75,;.58,-3.09,;2.12,-3.09,;.02,-.98,;-1.44,-1.46,;-1.92,-2.93,;-3.46,-2.93,;-3.94,-1.46,;-5.4,-.98,;-5.88,.48,;-7.42,.48,;-7.89,-.98,;-9.36,-1.46,;-6.65,-1.89,;-2.69,-.56,;-2.69,.98,;-4.02,1.75,;-5.36,.98,;-6.69,1.75,;-4.02,3.29,;-2.69,4.06,;-1.36,3.29,;-1.36,1.75,;-.02,.98,;1.31,1.75,;5.36,-.98,;6.69,-1.75,;8.02,-.98,;8.02,.56,;9.36,1.33,;6.69,1.33,;5.36,.56,)|
Structure:
Search PDB for entries with ligand similarity: