Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499518
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
160±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:
BDBM499518
Synonyms:
US11020395, Example 102.0 | US11020395, Example 103.0
Type:
Small organic molecule
Emp. Form.:
C23H29ClN8O6S
Mol. Mass.:
581.044
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2CC22CCOCC2)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,wD:13.12,(5.17,2.06,;3.84,2.83,;3.84,4.37,;2.5,5.14,;2.5,6.68,;1.17,4.37,;.4,3.03,;1.94,3.03,;-.16,5.14,;-1.5,4.37,;-1.97,2.9,;-3.51,2.9,;-3.99,4.37,;-5.53,4.37,;-6.86,5.14,;-6.86,3.6,;-8.4,3.6,;-9.17,2.26,;-8.4,.93,;-6.86,.93,;-6.09,2.26,;-2.74,5.27,;-2.74,6.81,;-4.08,7.58,;-5.41,6.81,;-6.74,7.58,;-4.08,9.12,;-2.74,9.89,;-1.41,9.12,;-1.41,7.58,;-.08,6.81,;1.26,7.58,;5.17,5.14,;6.51,4.37,;7.84,5.14,;7.84,6.68,;9.17,7.45,;6.51,7.45,;5.17,6.68,)|
Structure:
Search PDB for entries with ligand similarity: