Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270177
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
0.400±n/a nM
Citation
Chen, N; Chen, X; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X; Yang, K; Debenedetto, MV; Hedley, SJ Intermediates for preparing triazole agonists of the APJ receptor US Patent US9845310 Publication Date 12/19/2017
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:
BDBM270177
Synonyms:
(1R,2R)-1-(5-chloro-2-pyridinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(1-methylethoxy)-2-propanesulfonamide, (1S,2S)-1-(5-chloro-2-pyridinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(1-methylethoxy)-2-propanesulfonamide | US10058550, Example 745.0 | US10221162, Example 744.0 | US9845310, Example 745.0
Type:
Small organic molecule
Emp. Form.:
C27H31ClN6O5S
Mol. Mass.:
587.09
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2ccc(Cl)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(1.24,2.38,;-.09,1.61,;-1.42,2.38,;-1.42,3.92,;-2.76,4.69,;-4.09,3.92,;-4.09,2.38,;-5.43,1.61,;-6.76,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;5.16,-4.69,;6.49,-2.38,;5.16,-.07,;5.16,1.47,;6.49,2.24,;7.82,1.47,;9.16,2.24,;7.82,-.07,;6.49,-.84,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|