Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM270028
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
25.0±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:
BDBM270028
Synonyms:
(2R,3S)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methyl-2-pyrimidinyl)-2-butanesulfonamide | US10058550, Example 585.0 | US10221162, Example 585.0 | US9845310, Example 585.0
Type:
Small organic molecule
Emp. Form.:
C24H27N7O4S
Mol. Mass.:
509.581
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](C)c2ncc(C)cn2)nnc1-c1cccnc1 |r,wD:16.17,18.19,(-6.97,.3,;-5.49,-.1,;-4.4,.99,;-4.79,2.48,;-3.71,3.57,;-2.22,3.17,;-1.82,1.68,;-.33,1.28,;.76,2.37,;-2.91,.59,;-2.08,-1.85,;-.61,-2.33,;.72,-1.56,;2.05,-2.33,;1.28,-3.66,;3.39,-3.1,;2.82,-.99,;2.05,.34,;4.36,-.99,;5.13,-2.33,;5.13,.34,;6.67,.34,;7.44,1.67,;6.67,3.01,;7.44,4.34,;5.13,3.01,;4.36,1.67,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-5.56,-3.79,;-7.05,-3.39,;-7.44,-1.9,;-6.36,-.81,;-4.87,-1.21,)|
Structure:
