Target
Apelin receptor
Ligand
BDBM50183348
Substrate
n/a
Meas. Tech.
ChEMBL_1586257 (CHEMBL3820075)
EC50
>30000±n/a nM
Citation
 Narayanan, SMaitra, RDeschamps, JRBortoff, KThomas, JBZhang, YWarner, KVasukuttan, VDecker, ARunyon, SP Discovery of a novel small molecule agonist scaffold for the APJ receptor. Bioorg Med Chem 24:3758-70 (2016) [PubMed]  Article 
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:
BDBM50183348
Synonyms:
CHEMBL3819123
Type:
Small organic molecule
Emp. Form.:
C24H27FN4O5
Mol. Mass.:
470.4934
SMILES:
COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r,wD:25.28,(2.66,2.78,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;-0,-3.08,;-1.07,-3.7,;1.33,-.77,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;4.06,-.91,;4.37,.6,;3.31,1.71,;3.74,3.19,;5.24,3.56,;5.58,4.74,;6.3,2.44,;5.87,.96,;4.93,-4.79,;6.16,-4.92,;4.02,-6.03,;4.65,-7.44,;3.74,-8.69,;4.36,-10.1,;3.45,-11.34,;4.07,-12.75,;3.34,-13.75,;6.18,-7.61,;6.91,-6.62,;6.67,-8.74,)|
Structure:
Search PDB for entries with ligand similarity: