Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM360123
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
3.50±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:
BDBM360123
Synonyms:
(1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3- | US10221162, Example 425.0
Type:
Small organic molecule
Emp. Form.:
C25H30N8O5S
Mol. Mass.:
554.621
SMILES:
CN[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:2.1,3.3,(2.97,14.11,;4.3,14.88,;4.3,16.42,;2.97,17.19,;2.97,18.73,;1.63,16.42,;.86,15.09,;2.4,15.09,;.3,17.19,;-1.04,16.42,;-1.2,14.89,;-2.7,14.57,;-3.47,15.9,;-5.01,15.9,;-5.78,17.24,;-7.32,17.24,;-8.09,15.9,;-7.32,14.57,;-8.09,13.24,;-9.63,13.24,;-5.78,14.57,;-2.44,17.05,;-2.76,18.55,;-4.23,19.03,;-5.72,18.63,;-6.49,19.96,;-4.55,20.54,;-3.4,21.57,;-1.94,21.09,;-1.62,19.58,;-.15,19.11,;1.33,19.51,;5.63,17.19,;6.97,16.42,;8.3,17.19,;8.3,18.73,;9.63,19.5,;6.97,19.5,;5.63,18.73,)|
Structure:
