Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269886
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
11.0±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:
BDBM269886
Synonyms:
(2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-ethenyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide and (2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-ethenyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 417.0 | US10058550, Example 418.0 | US10221162, Example 417.0 | US9845310, Example 419.0
Type:
Small organic molecule
Emp. Form.:
C24H24FN7O4S
Mol. Mass.:
525.555
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)nnc1-c1cncc(C=C)c1 |r,wU:16.17,(2,-3.8,;.66,-4.57,;-.67,-3.8,;-.67,-2.26,;-2,-1.49,;-3.34,-2.26,;-3.34,-3.8,;-4.67,-4.57,;-6.01,-3.8,;-2,-4.57,;-2,-6.11,;-.76,-7.02,;.57,-6.25,;1.91,-7.02,;2.68,-8.35,;1.14,-8.35,;3.24,-6.25,;3.24,-4.71,;4.58,-7.02,;5.91,-6.25,;5.91,-4.71,;7.24,-3.94,;8.58,-4.71,;9.91,-3.94,;8.58,-6.25,;7.24,-7.02,;-1.23,-8.48,;-2.77,-8.48,;-3.25,-7.02,;-4.79,-7.02,;-5.56,-8.35,;-7.1,-8.35,;-7.87,-7.02,;-7.1,-5.68,;-7.87,-4.35,;-9.41,-4.35,;-5.56,-5.68,)|
Structure:
