Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499583
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
24.0±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
More Info.:
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:
BDBM499583
Synonyms:
US11020395, Example 179.0 | US11020395, Example 180.0
Type:
Small organic molecule
Emp. Form.:
C20H24ClFN8O5S
Mol. Mass.:
542.972
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CC[C@@H]2F)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:16.17,13.12,wD:3.3,2.1,(-3.44,4.65,;-2.54,3.41,;-1,3.57,;-.1,2.32,;1.43,2.48,;-.73,.91,;.68,.29,;-2.13,1.54,;-1.35,-.49,;-.45,-1.74,;1.09,-1.74,;1.57,-3.2,;.32,-4.11,;.32,-5.65,;-.77,-6.74,;.32,-7.83,;1.41,-6.74,;2.95,-6.74,;-.92,-3.2,;-2.39,-3.68,;-2.71,-5.19,;-1.56,-6.22,;-1.88,-7.72,;-4.17,-5.66,;-5.32,-4.63,;-5,-3.13,;-3.53,-2.65,;-3.21,-1.14,;-1.69,-.93,;-.38,4.97,;-1.28,6.22,;-.66,7.63,;.87,7.79,;1.5,9.19,;1.78,6.54,;1.15,5.13,)|