Reaction Details  Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571398
Substrate
n/a
Meas. Tech.
ChEMBL_2114593 (CHEMBL4823534)
EC50
8921±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:
BDBM50571398
Synonyms:
CHEMBL4865671
Type:
Small organic molecule
Emp. Form.:
C30H45N5O5
Mol. Mass.:
555.7088
SMILES:
COCCNC(=O)C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(n1)C1CCCC1 |r,wU:8.8,(32.52,-23.55,;30.99,-23.4,;30.09,-24.65,;28.56,-24.5,;27.66,-25.75,;26.13,-25.59,;25.5,-24.19,;25.23,-26.84,;23.7,-26.68,;23.07,-25.27,;23.97,-24.03,;23.34,-22.62,;24.26,-21.37,;23.63,-19.97,;22.1,-19.8,;21.19,-21.05,;21.82,-22.46,;22.79,-27.93,;21.26,-27.77,;20.63,-26.36,;20.36,-29.02,;18.82,-29.02,;18.35,-30.48,;16.89,-30.96,;15.74,-29.93,;16.06,-28.42,;14.92,-27.39,;14.28,-30.41,;13.96,-31.91,;15.12,-32.94,;16.58,-32.46,;17.73,-33.49,;17.41,-34.99,;19.59,-31.39,;20.84,-30.48,;19.6,-32.92,;18.36,-33.83,;18.83,-35.3,;20.37,-35.3,;20.85,-33.83,)|
Structure:
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