Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM456606
Substrate
n/a
Meas. Tech.
GTPγS Binding
EC50
25.0±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:
BDBM456606
Synonyms:
US10736883, Example 43.0
Type:
Small organic molecule
Emp. Form.:
C23H26N6O5S
Mol. Mass.:
498.555
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ccc(C)nn2)nnc1-c1ccc(C)o1 |r,wU:16.17,(-5.51,-7.22,;-4.03,-7.62,;-2.94,-6.53,;-3.34,-5.05,;-2.25,-3.96,;-.76,-4.36,;-.36,-5.84,;1.13,-6.24,;2.22,-5.15,;-1.45,-6.93,;-.81,-8.66,;.63,-9.21,;1.96,-8.44,;3.3,-9.21,;4.63,-9.98,;2.53,-10.55,;4.07,-7.88,;3.3,-6.54,;5.61,-7.88,;6.38,-6.54,;7.92,-6.54,;8.69,-5.21,;7.92,-3.88,;8.69,-2.54,;6.38,-3.88,;5.61,-5.21,;.55,-10.75,;-.94,-11.15,;-1.78,-9.86,;-3.27,-9.46,;-4.11,-8.17,;-5.59,-8.57,;-5.67,-10.1,;-7.01,-10.87,;-4.24,-10.65,)|
Structure:
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