Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499527
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
49.0±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:
BDBM499527
Synonyms:
US11020395, Example 123.0 | US11020395, Example 124.0
Type:
Small organic molecule
Emp. Form.:
C23H29ClN6O6S
Mol. Mass.:
553.031
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2C[C@H](CO)C2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:2.1,3.3,15.15,13.12,(5.59,-3.92,;4.26,-3.15,;4.26,-1.61,;2.93,-.84,;2.93,.7,;1.59,-1.61,;.26,-2.38,;2.93,-2.38,;.26,-.84,;-1.07,-1.61,;-1.55,-3.07,;-3.09,-3.07,;-3.57,-1.61,;-5.11,-1.61,;-6.2,-.52,;-7.28,-1.61,;-8.82,-1.61,;-9.59,-.27,;-6.2,-2.7,;-2.32,-.7,;-2.32,.84,;-3.65,1.61,;-4.99,.84,;-6.32,1.61,;-3.65,3.15,;-2.32,3.92,;-.99,3.15,;-.99,1.61,;.35,.84,;1.68,1.61,;5.59,-.84,;6.93,-1.61,;8.26,-.84,;8.26,.7,;9.59,1.47,;6.93,1.47,;5.59,.7,)|