Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270138
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
0.180±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 
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:
BDBM270138
Synonyms:
(2R,3S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methoxy-2-pyrazinyl)-2-butanesulfonamide, (2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methoxy-2-pyrazinyl)-2-butanesulfonamide | US10058550, Example 705.0 | US10058550, Example 708.0 | US10221162, Example 708.0 | US9845310, Example 708.0
Type:
Small organic molecule
Emp. Form.:
C25H29N7O6S
Mol. Mass.:
555.606
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@@H](C)c2cnc(OC)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,18.19,(-11.19,-4,;-9.65,-4,;-8.88,-2.66,;-9.65,-1.33,;-8.88,.01,;-7.34,.01,;-6.57,-1.33,;-7.34,-2.66,;-5.03,-1.33,;-4.56,-2.79,;-3.02,-2.79,;-2.54,-1.33,;-1.05,-.93,;.04,-2.02,;-1.05,-3.11,;.43,-3.51,;1.52,-1.62,;1.92,-.13,;2.61,-2.71,;2.21,-4.2,;4.1,-2.31,;5.19,-3.4,;6.68,-3,;7.08,-1.51,;8.56,-1.11,;9.65,-2.2,;5.99,-.42,;4.5,-.82,;-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:
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