Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269691
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
25.0±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:
BDBM269691
Synonyms:
(2S)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide or (2R)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 205.0 | US10058550, Example 205.1 | US10221162, Example 206.0 | US9845310, Example 206.0
Type:
Small organic molecule
Emp. Form.:
C22H22FN7O4S
Mol. Mass.:
499.518
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1cccnc1 |r,wD:16.17,(-6.48,-6.09,;-5.15,-6.86,;-3.81,-6.09,;-3.81,-4.55,;-2.48,-3.78,;-1.15,-4.55,;-1.15,-6.09,;.19,-6.86,;1.52,-6.09,;-2.48,-6.86,;-2.48,-8.4,;-1.23,-9.3,;.1,-8.53,;1.43,-9.3,;2.77,-10.07,;.1,-10.07,;2.77,-8.53,;2.77,-6.99,;4.1,-9.3,;5.44,-8.53,;6.77,-9.3,;8.1,-8.53,;8.1,-6.99,;9.44,-6.22,;6.77,-6.22,;5.44,-6.99,;-1.71,-10.77,;-3.25,-10.77,;-3.72,-9.3,;-5.26,-9.3,;-6.03,-7.97,;-7.57,-7.97,;-8.34,-9.3,;-7.57,-10.64,;-6.03,-10.64,)|
Structure:
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