Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499575
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
18.0±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:
BDBM499575
Synonyms:
US11020395, Example 170.0
Type:
Small organic molecule
Emp. Form.:
C23H30ClN7O5S
Mol. Mass.:
552.046
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CC[C@H]2CN)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,16.17,2.1,wD:13.12,(1.65,4.95,;.75,3.71,;-.78,3.87,;-1.69,2.62,;-3.22,2.78,;-1.06,1.22,;-2.47,.59,;.35,1.84,;-.43,-.19,;-1.34,-1.44,;-2.88,-1.44,;-3.36,-2.9,;-2.11,-3.81,;-2.11,-5.35,;-1.02,-6.43,;-2.11,-7.52,;-3.2,-6.43,;-4.74,-6.43,;-5.51,-7.77,;-.86,-2.9,;.6,-3.38,;1.75,-2.35,;1.43,-.84,;2.57,.19,;3.21,-2.82,;3.53,-4.33,;2.39,-5.36,;.92,-4.88,;-.22,-5.91,;-1.58,-5.19,;-1.41,5.28,;-2.94,5.44,;-3.57,6.84,;-2.66,8.09,;-3.29,9.5,;-1.13,7.93,;-.5,6.52,)|