Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499485
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
66.0±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:
BDBM499485
Synonyms:
US11020395, Example 7.0
Type:
Small organic molecule
Emp. Form.:
C20H25ClN8O5S
Mol. Mass.:
524.981
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CCC2)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(2.09,-4.26,;3.18,-3.17,;3.18,-1.63,;1.85,-.86,;1.85,.68,;.51,-1.63,;-.82,-2.4,;1.85,-2.4,;-.82,-.86,;-2.31,-1.26,;-2.78,-2.73,;-4.32,-2.73,;-4.8,-1.26,;-6.34,-1.26,;-7.43,-.17,;-8.52,-1.26,;-7.43,-2.35,;-3.55,-.36,;-3.55,1.18,;-2.22,1.95,;-.89,1.18,;.45,1.95,;-2.22,3.49,;-3.55,4.26,;-4.89,3.49,;-4.89,1.95,;-6.22,1.18,;-7.55,1.95,;4.52,-.86,;5.85,-1.63,;7.18,-.86,;7.18,.68,;8.52,1.45,;5.85,1.45,;4.52,.68,)|