Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571407
Substrate
n/a
Meas. Tech.
ChEMBL_2114591 (CHEMBL4823532)
EC50
779±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:
BDBM50571407
Synonyms:
CHEMBL4868247
Type:
Small organic molecule
Emp. Form.:
C28H38N6O4
Mol. Mass.:
522.6391
SMILES:
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnco1 |r,wU:23.26,(14.59,-11.09,;15.74,-12.12,;15.42,-13.63,;13.96,-14.1,;13.64,-15.61,;14.79,-16.64,;16.25,-16.16,;17.4,-17.19,;17.09,-18.69,;16.56,-14.66,;18.02,-14.18,;18.49,-12.72,;20.03,-12.71,;20.51,-14.18,;19.27,-15.08,;19.27,-16.62,;18.03,-17.53,;18.5,-18.99,;20.04,-18.99,;20.52,-17.53,;20.94,-11.47,;20.31,-10.06,;22.47,-11.63,;23.37,-10.38,;22.74,-8.97,;23.65,-7.72,;23.02,-6.32,;23.93,-5.07,;23.31,-3.67,;21.78,-3.5,;20.87,-4.75,;21.49,-6.16,;24.9,-10.54,;25.8,-9.29,;25.31,-7.84,;26.55,-6.93,;27.79,-7.82,;27.33,-9.29,)|
Structure:
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