Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269952
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
0.098±n/a nM
Citation
 Chen, N; Chen, X; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X; Yang, K; Debenedetto, MV; Hedley, SJ Intermediates for preparing triazole agonists of the APJ receptor US Patent  US9845310 Publication Date 12/19/2017 
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:
BDBM269952
Synonyms:
(2R)-2-(4-cyano-2-(methylsulfonyl)phenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-methoxyethanesulfonamide or (2S)-2-(4-cyano-2-(methylsulfonyl)phenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-methoxyethanesulfonamide | US10058550, Example 485.0 | US10058550, Example 486.0 | US10221162, Example 486.0 | US9845310, Example 486.0
Type:
Small organic molecule
Emp. Form.:
C27H28N6O8S2
Mol. Mass.:
628.677
SMILES:
CO[C@H](CS(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ccc(cc1S(C)(=O)=O)C#N |r,wD:2.1,(4.77,-10.95,;3.43,-10.18,;3.43,-8.64,;2.1,-7.87,;.77,-8.64,;1.54,-9.97,;-0,-9.97,;-.57,-7.87,;-1.9,-8.64,;-2.38,-10.11,;-3.92,-10.11,;-4.39,-8.64,;-5.88,-8.24,;-6.28,-6.75,;-7.77,-6.36,;-8.86,-7.44,;-8.46,-8.93,;-9.55,-10.02,;-9.15,-11.51,;-6.97,-9.33,;-3.15,-7.74,;-3.15,-6.2,;-4.48,-5.43,;-5.81,-6.2,;-7.15,-5.43,;-4.48,-3.89,;-3.15,-3.12,;-1.81,-3.89,;-1.81,-5.43,;-.48,-6.2,;.85,-5.43,;4.77,-7.87,;6.1,-8.64,;7.44,-7.87,;7.44,-6.33,;6.1,-5.56,;4.77,-6.33,;3.43,-5.56,;2.1,-6.33,;2.66,-4.23,;4.2,-4.23,;8.77,-5.56,;10.1,-4.79,)|
Structure:
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