Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310359
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
710±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:
BDBM310359
Synonyms:
(3R,5S)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-((2R)-1,4-dioxan-2-yl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-5-(1-methylethoxy)-3-piperidinesulfonamide or (3R,5S)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-((2S)-1,4-dioxan-2-yl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-5-(1-methylethoxy)-3-piperidinesulfonamide | US10150760, Example 179.0 | US10150760, Example 180.0
Type:
Small organic molecule
Emp. Form.:
C24H32FN9O7S
Mol. Mass.:
609.63
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@@H](CN(C2)c2ncc(F)cn2)OC(C)C)nnc1[C@@H]1COCCO1 |r,wU:36.39,wD:16.16,18.31,(-7.19,9.69,;-5.86,8.92,;-4.52,9.69,;-4.52,11.23,;-3.19,12,;-1.85,11.23,;-1.85,9.69,;-.52,8.92,;.81,9.69,;-3.19,8.92,;-3.19,7.38,;-1.94,6.48,;-.45,6.87,;.63,5.78,;1.03,4.3,;-.45,4.7,;2.12,6.18,;2.52,7.67,;4.01,8.07,;5.1,6.98,;4.7,5.49,;3.21,5.09,;5.79,4.4,;5.39,2.92,;6.48,1.83,;7.97,2.23,;9.05,1.14,;8.36,3.71,;7.27,4.8,;4.41,9.56,;5.89,9.96,;6.29,11.44,;6.98,8.87,;-2.42,5.01,;-3.96,5.01,;-4.43,6.48,;-5.97,6.48,;-6.74,7.81,;-8.28,7.81,;-9.05,6.48,;-8.28,5.14,;-6.74,5.14,)|
Structure:
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