Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269884
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
0.260±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:
BDBM269884
Synonyms:
(1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxyethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxyethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide | US10058550, Example 415.0 | US10058550, Example 416.0 | US10221162, Example 416.0 | US9845310, Example 416.0
Type:
Small organic molecule
Emp. Form.:
C26H31N7O7S
Mol. Mass.:
585.632
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OCCO)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,16.17,(-9.97,-9.05,;-8.43,-9.05,;-7.66,-7.71,;-8.43,-6.38,;-7.66,-5.04,;-6.12,-5.04,;-5.35,-6.38,;-6.12,-7.71,;-4.02,-7.15,;-3.54,-8.61,;-2,-8.61,;-1.52,-7.15,;-.19,-6.38,;1.14,-7.15,;1.91,-8.48,;.37,-8.48,;2.48,-6.38,;2.48,-4.84,;3.81,-7.15,;3.81,-8.69,;5.14,-9.46,;5.14,-11,;6.48,-11.77,;5.14,-6.38,;5.14,-4.84,;6.48,-4.07,;7.81,-4.84,;9.15,-4.07,;7.81,-6.38,;6.48,-7.15,;-2.77,-6.24,;-2.77,-4.52,;-1.39,-3.78,;-.05,-4.55,;1.28,-3.78,;-1.44,-2.21,;-2.77,-1.44,;-4.1,-2.21,;-4.1,-3.75,;-5.44,-4.52,;-6.77,-3.75,)|
Structure:
