Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269995
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
0.490±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:
BDBM269995
Synonyms:
(1S,2R)-1-(5-chloro-2-pyridinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide and (1R,2S)-1-(5-chloro-2-pyridinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide | US10058550, Example 532.0 | US10221162, Example 534.0
Type:
Small organic molecule
Emp. Form.:
C25H27ClN6O5S
Mol. Mass.:
559.037
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ccc(Cl)cn1 |r,wU:2.1,3.3,(3.93,1.06,;2.59,1.83,;2.59,3.37,;1.26,4.14,;1.26,5.68,;-.07,3.37,;.7,2.04,;-.84,2.04,;-1.41,4.14,;-2.74,3.37,;-3.22,1.91,;-4.76,1.91,;-5.23,3.37,;-6.72,3.77,;-7.12,5.26,;-8.61,5.66,;-9.69,4.57,;-9.3,3.08,;-10.39,1.99,;-7.81,2.68,;-3.99,4.28,;-3.99,5.82,;-5.32,6.59,;-6.65,5.82,;-7.99,6.59,;-5.32,8.13,;-3.99,8.9,;-2.65,8.13,;-2.65,6.59,;-1.32,5.82,;.01,6.59,;3.93,4.14,;3.93,5.68,;5.26,6.45,;6.6,5.68,;7.93,6.45,;6.6,4.14,;5.26,3.37,)|
Structure:
