Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269554
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
2.60±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:
BDBM269554
Synonyms:
(1R,2S)-N-(4-(2,3-dimethylphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 70.0 | US10221162, Example 70.0 | US9845310, Example 70.0
Type:
Small organic molecule
Emp. Form.:
C25H29N7O4S
Mol. Mass.:
523.607
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccc(C)c1C)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.9,-3.92,;4.57,-3.15,;4.57,-1.61,;3.23,-.84,;3.23,.7,;1.9,-1.61,;1.13,-2.94,;2.67,-2.94,;.57,-.84,;-.77,-1.61,;-1.24,-3.07,;-2.78,-3.07,;-3.26,-1.61,;-4.75,-1.21,;-5.15,.28,;-6.63,.68,;-7.72,-.41,;-7.32,-1.9,;-8.41,-2.99,;-9.9,-2.59,;-5.84,-2.3,;-2.01,-.7,;-2.01,.84,;-3.35,1.61,;-3.35,3.15,;-2.01,3.92,;-.68,3.15,;.65,3.92,;-.68,1.61,;.65,.84,;5.9,-.84,;7.23,-1.61,;8.57,-.84,;8.57,.7,;9.9,1.47,;7.23,1.47,;5.9,.7,)|
Structure:
