Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499629
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
190±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:
BDBM499629
Synonyms:
US11020395, Example 228.0
Type:
Small organic molecule
Emp. Form.:
C26H34N6O6S
Mol. Mass.:
558.65
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1[C@@H]1C2CC1[C@H]2O |r,wU:16.17,wD:33.35,18.19,37.42,(-7.01,3.18,;-5.68,2.41,;-4.35,3.18,;-4.35,4.72,;-3.01,5.49,;-1.68,4.72,;-1.68,3.18,;-.34,2.41,;.99,3.18,;-3.01,2.41,;-3.01,.87,;-1.77,-.04,;-.28,.36,;.81,-.73,;-.28,-1.82,;1.21,-2.22,;2.3,-.33,;2.7,1.16,;3.39,-1.42,;2.99,-2.91,;4.08,-4,;3.68,-5.49,;5.56,-3.6,;4.87,-1.02,;5.96,-2.11,;7.45,-1.71,;7.85,-.23,;9.34,.17,;6.76,.86,;5.27,.47,;-2.24,-1.5,;-3.78,-1.5,;-4.26,-.04,;-5.75,.36,;-7.08,-.41,;-7.08,.78,;-6.52,1.69,;-7.85,.92,;-9.34,1.32,)|