Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310252
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
28.0±n/a nM
Citation
 Chen, X; Cheng, AC; Connors, RV; Debenedetto, MV; Dransfield, PJ; Fu, Z; Harvey, JS; Heath, JA; Houze, J; Judd, TC; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor US Patent  US10150760 Publication Date 12/11/2018 
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:
BDBM310252
Synonyms:
US10150760, Example 48.0 | US10150760, Example 49.0 | US10150760, Example 50.0
Type:
Small organic molecule
Emp. Form.:
C23H30N6O5S
Mol. Mass.:
502.587
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1[C@H]1CCCO1 |r,wU:16.17,18.19,wD:30.32,(-7.42,1.22,;-6.09,.45,;-4.76,1.22,;-4.76,2.76,;-3.42,3.53,;-2.09,2.76,;-2.09,1.22,;-.75,.45,;.58,1.22,;-3.42,.45,;-3.42,-1.09,;-2.18,-1.99,;-.84,-1.22,;.49,-1.99,;-.28,-3.33,;1.26,-3.33,;1.82,-1.22,;1.82,.32,;3.16,-1.99,;3.16,-3.53,;4.49,-1.22,;5.83,-1.99,;7.16,-1.22,;7.16,.32,;8.49,1.09,;5.83,1.09,;4.49,.32,;-2.65,-3.46,;-4.19,-3.46,;-4.67,-1.99,;-6,-1.22,;-6.48,.24,;-8.02,.24,;-8.49,-1.22,;-7.25,-2.13,)|
Structure:
Search PDB for entries with ligand similarity: