Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310227
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
210±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:
BDBM310227
Synonyms:
(R)-2-(4-chlorophenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(tetrahydrofuran-3-yl)-4H-1,2,4-triazol-3-yl)ethanesulfonamide or (S)-2-(4-chlorophenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(tetrahydrofuran-3-yl)-4H-1,2,4-triazol-3-yl)ethanesulfonamide | US10150760, Example 9.0
Type:
Small organic molecule
Emp. Form.:
C22H25ClN4O5S
Mol. Mass.:
492.976
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(Cl)cc2)nnc1[C@@H]1CCOC1 |r,wD:28.30,(-7.01,-3.89,;-5.68,-4.66,;-4.34,-3.89,;-4.34,-2.35,;-3.01,-1.58,;-1.67,-2.35,;-1.67,-3.89,;-.34,-4.66,;.99,-3.89,;-3.01,-4.66,;-3.01,-6.2,;-1.76,-7.11,;-.3,-6.63,;1.04,-7.4,;1.81,-8.74,;.27,-8.74,;2.37,-6.63,;3.7,-7.4,;5.04,-6.63,;6.37,-7.4,;7.7,-6.63,;7.7,-5.09,;9.04,-4.32,;6.37,-4.32,;5.04,-5.09,;-2.24,-8.57,;-3.78,-8.57,;-4.25,-7.11,;-5.72,-6.63,;-6.96,-7.54,;-8.21,-6.63,;-7.73,-5.17,;-6.19,-5.17,)|
Structure:
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