Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571390
Substrate
n/a
Meas. Tech.
ChEMBL_2114591 (CHEMBL4823532)
EC50
8.0±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:
BDBM50571390
Synonyms:
CHEMBL4849104
Type:
Small organic molecule
Emp. Form.:
C32H48ClN5O4
Mol. Mass.:
602.208
SMILES:
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCCC1)CC(=O)NC1CCC1 |r,wU:24.26,(56.92,-53.13,;47.26,-50.56,;48.41,-51.59,;48.09,-53.1,;46.62,-53.57,;46.31,-55.08,;47.46,-56.11,;48.92,-55.63,;50.07,-56.65,;49.75,-58.16,;49.23,-54.13,;50.69,-53.65,;51.16,-52.18,;52.7,-52.18,;53.18,-53.65,;51.94,-54.55,;51.94,-56.09,;50.7,-57,;51.17,-58.46,;52.71,-58.46,;53.19,-57,;53.6,-50.94,;52.98,-49.53,;55.14,-51.09,;56.04,-49.85,;55.41,-48.44,;56.31,-47.19,;55.69,-45.79,;54.14,-45.73,;53.25,-44.48,;53.68,-42.94,;55.05,-42.37,;56.38,-43.1,;56.71,-44.57,;57.57,-50.01,;58.48,-48.76,;57.85,-47.35,;60.01,-48.92,;60.91,-47.67,;62.43,-47.43,;62.18,-45.91,;60.66,-46.15,)|
Structure:
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