Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269897
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
0.270±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:
BDBM269897
Synonyms:
(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-ethoxypropane-2-sulfonamide | US10058550, Example 429.0 | US10221162, Example 610.0 | US9845310, Example 610.0
Type:
Small organic molecule
Emp. Form.:
C25H28ClN7O5S
Mol. Mass.:
574.052
SMILES:
CCO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:4.4,3.2,(4.81,-4.69,;4.81,-3.15,;3.48,-2.38,;3.48,-.84,;2.14,-.07,;2.14,1.47,;.81,-.84,;.04,-2.17,;1.58,-2.17,;-.52,-.07,;-1.86,-.84,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.93,-1.53,;-8.41,-1.13,;-8.81,.36,;-7.72,1.45,;-8.12,2.93,;-6.24,1.05,;-3.1,.07,;-3.1,1.61,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-1.77,3.92,;-3.1,4.69,;-4.44,3.92,;-4.44,2.38,;-5.77,1.61,;-7.1,2.38,;4.81,-.07,;6.14,-.84,;7.48,-.07,;7.48,1.47,;8.81,2.24,;6.14,2.24,;4.81,1.47,)|
Structure:
