Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499633
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
220±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:
BDBM499633
Synonyms:
US11020395, Example 231.0
Type:
Small organic molecule
Emp. Form.:
C26H36N6O6S
Mol. Mass.:
560.666
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1C1C[C@@](C)(O)C1 |r,wU:35.38,16.17,wD:18.19,35.39,(-7.09,3.18,;-5.76,2.41,;-4.42,3.18,;-4.42,4.72,;-3.09,5.49,;-1.76,4.72,;-1.76,3.18,;-.42,2.41,;.91,3.18,;-3.09,2.41,;-3.09,.87,;-1.84,-.04,;-.36,.36,;.73,-.73,;-.36,-1.82,;1.13,-2.22,;2.22,-.33,;2.62,1.16,;3.31,-1.42,;2.91,-2.91,;4,-4,;3.6,-5.49,;5.49,-3.6,;4.8,-1.02,;5.89,-2.11,;7.37,-1.71,;7.77,-.23,;9.26,.17,;6.68,.86,;5.2,.47,;-2.32,-1.5,;-3.86,-1.5,;-4.33,-.04,;-5.82,.36,;-6.59,1.69,;-7.93,.92,;-9.02,2.01,;-9.26,.15,;-7.16,-.41,)|