Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269912
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
29.0±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:
BDBM269912
Synonyms:
(1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-2-propanesulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-2-propanesulfonamide | US10058550, Example 445.0 | US10221162, Example 447.0 | US9845310, Example 447.0
Type:
Small organic molecule
Emp. Form.:
C24H31N5O7S
Mol. Mass.:
533.597
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](O)C2CCOCC2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-8.93,-8.38,;-7.44,-8.78,;-6.35,-7.69,;-6.75,-6.2,;-5.66,-5.11,;-4.17,-5.51,;-3.78,-7,;-4.86,-8.09,;-2.29,-7.4,;-1.81,-8.86,;-.27,-8.86,;.2,-7.4,;1.54,-6.63,;2.87,-7.4,;2.1,-8.73,;3.64,-8.73,;4.2,-6.63,;4.2,-5.09,;5.54,-7.4,;5.54,-8.94,;6.87,-6.63,;8.21,-7.4,;9.54,-6.63,;9.54,-5.09,;8.21,-4.32,;6.87,-5.09,;-1.04,-6.49,;-1.04,-4.95,;-2.38,-4.18,;-3.71,-4.95,;-5.04,-4.18,;-2.38,-2.64,;-1.04,-1.87,;.29,-2.64,;.29,-4.18,;1.63,-4.95,;2.96,-4.18,)|
Structure:
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