Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310237
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
4.50±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:
BDBM310237
Synonyms:
(2S,3R)-3-(5-cyano-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-((2S)-tetrahydro-2-furanyl)-4H-1,2,4-triazol-3-yl)-2-butanesulfonamide or (2S,3R)-3-(5-cyano-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-((2R)-tetrahydro-2-furanyl)-4H-1,2,4-triazol-3-yl)-2-butanesulfonamide | US10150760, Example 24.0
Type:
Small organic molecule
Emp. Form.:
C22H27ClN6O5S
Mol. Mass.:
523.005
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1[C@@H]1CCCO1 |r,wU:16.17,18.19,30.32,(-9.4,16.25,;-8.07,15.48,;-6.74,16.25,;-6.74,17.79,;-5.4,18.56,;-4.07,17.79,;-4.07,16.25,;-2.74,15.48,;-1.4,16.25,;-5.4,15.48,;-5.4,13.94,;-4.16,13.03,;-2.82,13.8,;-1.49,13.03,;-.16,12.26,;-2.82,12.26,;-.16,13.8,;-.16,15.34,;1.18,13.03,;1.18,11.49,;2.51,13.8,;3.84,13.03,;5.18,13.8,;5.18,15.34,;6.51,16.11,;3.84,16.11,;2.51,15.34,;-4.63,11.57,;-6.17,11.57,;-6.65,13.03,;-8.14,13.43,;-8.61,14.89,;-10.15,14.89,;-10.63,13.43,;-9.38,12.52,)|
Structure:
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