Reaction Details
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Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269879
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
29.0±n/a nM
Citation
Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Yang, K; Yeh, W; Debenedetto, MV; Farrell, RP; Hedley, SJ; Judd, TC; Kayser, F Triazole agonists of the APJ receptor US Patent US10221162 Publication Date 3/5/2019 More Info.:
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:
BDBM269879
Synonyms:
(1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxyethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1R,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxyethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide | US10058550, Example 408.0 | US10058550, Example 409.0 | US10221162, Example 409.0 | US9845310, Example 409.0
Type:
Small organic molecule
Emp. Form.:
C26H31N7O6S
Mol. Mass.:
569.633
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OCCO)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(1.36,-2.94,;.02,-3.71,;-1.31,-2.94,;-1.36,-1.37,;-2.69,-.6,;-4.03,-1.37,;-4.03,-2.91,;-5.36,-3.68,;-6.69,-2.91,;-2.69,-3.68,;-2.69,-5.22,;-1.45,-6.13,;-.11,-5.36,;1.22,-6.13,;.45,-7.46,;1.99,-7.46,;2.55,-5.36,;2.55,-3.82,;3.89,-6.13,;3.89,-7.67,;5.22,-8.44,;5.22,-9.98,;6.56,-10.75,;5.22,-5.36,;6.56,-6.13,;7.89,-5.36,;7.89,-3.82,;9.22,-3.05,;6.56,-3.05,;5.22,-3.82,;-1.92,-7.59,;-3.46,-7.59,;-3.94,-6.13,;-5.34,-5.64,;-6.11,-6.98,;-7.65,-6.98,;-8.42,-5.64,;-7.65,-4.31,;-8.42,-2.98,;-6.11,-4.31,)|
Structure:
