Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270178
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
7.60±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:
BDBM270178
Synonyms:
(1R,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-isopropoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide or (1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-isopropoxy-1-(5-methylpyrazin-2-yl)propane-2-sulfonamide | US10058550, Example 746.0 | US10058550, Example 747.0 | US9845310, Example 747.0
Type:
Small organic molecule
Emp. Form.:
C27H33N7O5S
Mol. Mass.:
567.66
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2cnc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(-7.1,2.38,;-5.77,1.61,;-4.44,2.38,;-4.44,3.92,;-3.1,4.69,;-1.77,3.92,;-1.77,2.38,;-.44,1.61,;.9,2.38,;-3.1,1.61,;-3.1,.07,;-1.86,-.84,;-.52,-.07,;.81,-.84,;1.58,-2.17,;.04,-2.17,;2.14,-.07,;2.14,1.47,;3.48,-.84,;3.48,-2.38,;4.81,-3.15,;6.14,-2.38,;4.81,-4.69,;4.81,-.07,;4.81,1.47,;6.14,2.24,;7.48,1.47,;8.81,2.24,;7.48,-.07,;6.14,-.84,;-2.33,-2.3,;-3.87,-2.3,;-4.35,-.84,;-5.84,-.44,;-6.93,-1.53,;-8.41,-1.13,;-8.81,.36,;-7.72,1.45,;-8.12,2.93,;-6.24,1.05,)|
Structure:
Search PDB for entries with ligand similarity: