Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499550
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
26.0±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 
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:
BDBM499550
Synonyms:
US11020395, Example 146.0
Type:
Small organic molecule
Emp. Form.:
C21H25ClF2N8O5S
Mol. Mass.:
574.989
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CC[C@@H]2C(F)F)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,wD:16.17,(2.15,5.02,;1.24,3.77,;-.29,3.94,;-1.19,2.69,;-2.73,2.85,;-.57,1.28,;-1.97,.66,;.84,1.91,;.06,-.12,;-.85,-1.37,;-2.39,-1.37,;-2.86,-2.83,;-1.62,-3.74,;-1.62,-5.28,;-.53,-6.37,;-1.62,-7.46,;-2.71,-6.37,;-4.25,-6.37,;-5.02,-7.7,;-5.02,-5.03,;-.37,-2.83,;1.09,-3.31,;2.24,-2.28,;1.92,-.77,;3.06,.26,;3.7,-2.76,;4.02,-4.26,;2.88,-5.29,;1.41,-4.82,;.27,-5.85,;-1.09,-5.12,;-.92,5.34,;-2.45,5.5,;-3.07,6.91,;-2.17,8.16,;-2.79,9.56,;-.64,8,;-.01,6.59,)|
Structure:
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