Reaction Details  Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571391
Substrate
n/a
Meas. Tech.
ChEMBL_2114593 (CHEMBL4823534)
EC50
101±n/a nM
Citation
 Narayanan, S; Wang, S; Vasukuttan, V; Vyas Devambatla, RK; Dai, D; Jin, C; Snyder, R; Laudermilk, L; Runyon, SP; Maitra, R Pyrazole Agonist of the Apelin Receptor Improves Symptoms of Metabolic Syndrome in Mice. J Med Chem 64:3006-3025 (2021) [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:
BDBM50571391
Synonyms:
CHEMBL4864641
Type:
Small organic molecule
Emp. Form.:
C31H44N4O5
Mol. Mass.:
552.7049
SMILES:
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)OC1CCC1 |r,wU:23.26,(62.36,-50.2,;63.51,-51.23,;63.19,-52.74,;61.73,-53.22,;61.41,-54.73,;62.56,-55.76,;64.02,-55.27,;65.17,-56.3,;64.86,-57.81,;64.34,-53.77,;65.79,-53.3,;66.26,-51.83,;67.8,-51.83,;68.28,-53.29,;67.04,-54.2,;67.04,-55.74,;65.8,-56.64,;66.27,-58.11,;67.81,-58.11,;68.29,-56.64,;68.71,-50.58,;68.08,-49.17,;70.24,-50.74,;71.14,-49.49,;70.51,-48.09,;71.42,-46.84,;70.79,-45.43,;71.7,-44.18,;71.08,-42.78,;69.55,-42.62,;68.64,-43.86,;69.26,-45.28,;72.67,-49.65,;73.58,-48.4,;72.95,-47,;75.11,-48.56,;76.01,-47.31,;77.53,-47.07,;77.29,-45.55,;75.77,-45.79,)|
Structure:
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