Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571384
Substrate
n/a
Meas. Tech.
ChEMBL_2114591 (CHEMBL4823532)
EC50
167±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:
BDBM50571384
Synonyms:
CHEMBL4873660
Type:
Small organic molecule
Emp. Form.:
C30H44ClN5O4
Mol. Mass.:
574.154
SMILES:
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCC1)CC(=O)NC1CCC1 |r,wU:24.26,(53.3,-35.15,;42.48,-32.72,;43.63,-33.75,;43.31,-35.26,;41.85,-35.73,;41.53,-37.24,;42.68,-38.27,;44.14,-37.79,;45.29,-38.82,;44.98,-40.32,;44.45,-36.29,;45.91,-35.81,;46.38,-34.35,;47.92,-34.34,;48.4,-35.81,;47.16,-36.71,;47.16,-38.25,;45.92,-39.16,;46.39,-40.62,;47.93,-40.62,;48.41,-39.16,;48.83,-33.1,;48.2,-31.69,;50.36,-33.25,;51.26,-32.01,;50.63,-30.6,;51.54,-29.35,;50.91,-27.95,;51.67,-26.61,;50.64,-25.47,;49.23,-26.1,;49.4,-27.63,;52.79,-32.17,;53.7,-30.92,;53.07,-29.51,;55.23,-31.08,;56.13,-29.83,;57.65,-29.59,;57.41,-28.07,;55.89,-28.31,)|
Structure:
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