Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM270137
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
0.930±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:
BDBM270137
Synonyms:
(2R,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methoxy-2-pyrazinyl)-2-butanesulfonamide and (2R,3S)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methoxy-2-pyrazinyl)-2-butanesulfonamide and (2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methoxy-2-pyrazinyl)-2-butanesulfonamide | US10058550, Example 704.0 | US10221162, Example 704.0 | US9845310, Example 704.0
Type:
Small organic molecule
Emp. Form.:
C24H27N7O5S
Mol. Mass.:
525.58
SMILES:
COc1cnc(cn1)[C@H](C)[C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC |r,wD:10.11,8.9,(9.65,-2.2,;8.56,-1.11,;7.08,-1.51,;5.99,-.42,;4.5,-.82,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;2.61,-2.71,;2.21,-4.2,;1.52,-1.62,;1.92,-.13,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;-1.05,-.93,;-2.54,-1.33,;-3.02,-2.79,;-4.56,-2.79,;-5.03,-1.33,;-6.57,-1.33,;-7.34,-2.66,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-3.79,-.42,;-3.79,1.12,;-2.45,1.89,;-1.12,1.12,;.22,1.89,;-2.45,3.43,;-3.79,4.2,;-5.12,3.43,;-5.12,1.89,;-6.45,1.12,;-7.79,1.89,)|
Structure:
