Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310249
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
430±n/a nM
Citation
 Chen, X; Cheng, AC; Connors, RV; Debenedetto, MV; Dransfield, PJ; Fu, Z; Harvey, JS; Heath, JA; Houze, J; Judd, TC; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor US Patent  US10150760 Publication Date 12/11/2018 
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:
BDBM310249
Synonyms:
2-(2-cyano-4-fluorophenyl)-N-(4-(2,6-dimethoxyphenyl)-5-((2R)-5-oxo-2-pyrrolidinyl)-4H-1,2,4-triazol-3-yl)ethanesulfonamide | US10150760, Example 44.0
Type:
Small organic molecule
Emp. Form.:
C23H23FN6O5S
Mol. Mass.:
514.529
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(F)cc2C#N)nnc1[C@@H]1CCC(=O)N1 |r,wD:30.32,(-6.71,1.18,;-5.38,.41,;-4.05,1.18,;-4.05,2.72,;-2.71,3.49,;-1.38,2.72,;-1.38,1.18,;-.05,.41,;1.29,1.18,;-2.71,.41,;-2.71,-1.13,;-1.47,-2.03,;-.13,-1.26,;1.2,-2.03,;.43,-3.36,;1.97,-3.36,;2.53,-1.26,;3.87,-2.03,;5.2,-1.26,;6.54,-2.03,;7.87,-1.26,;7.87,.28,;9.2,1.05,;6.54,1.05,;5.1,.29,;3.76,1.04,;2.42,1.79,;-1.94,-3.49,;-3.48,-3.49,;-3.96,-2.03,;-5.5,-2.03,;-6.4,-3.28,;-7.87,-2.8,;-7.87,-1.26,;-9.2,-.49,;-6.4,-.78,)|
Structure:
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