Reaction Details
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Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269877
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
39.0±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:
BDBM269877
Synonyms:
(1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxy-2-methylpropoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxy-2-methylpropoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide | US10058550, Example 405.0 | US10058550, Example 406.0 | US10221162, Example 406.0 | US9845310, Example 406.0
Type:
Small organic molecule
Emp. Form.:
C28H35N7O6S
Mol. Mass.:
597.686
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OCC(C)(C)O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(1.36,-2.62,;.02,-3.39,;-1.31,-2.62,;-1.36,-1.05,;-2.69,-.28,;-4.03,-1.05,;-4.03,-2.59,;-5.36,-3.36,;-6.69,-2.59,;-2.69,-3.36,;-2.69,-4.9,;-1.45,-5.81,;-.11,-5.04,;1.22,-5.81,;.45,-7.14,;1.99,-7.14,;2.55,-5.04,;2.55,-3.5,;3.89,-5.81,;3.89,-7.35,;5.22,-8.12,;5.22,-9.66,;6.56,-10.43,;5.22,-11.2,;3.89,-10.43,;5.22,-5.04,;6.56,-5.81,;7.89,-5.04,;7.89,-3.5,;9.22,-2.73,;6.56,-2.73,;5.22,-3.5,;-1.92,-7.27,;-3.46,-7.27,;-3.94,-5.81,;-5.34,-5.33,;-6.11,-6.66,;-7.65,-6.66,;-8.42,-5.33,;-7.65,-3.99,;-8.42,-2.66,;-6.11,-3.99,)|
Structure:
