Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571388
Substrate
n/a
Meas. Tech.
ChEMBL_2114591 (CHEMBL4823532)
EC50
33±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:
BDBM50571388
Synonyms:
CHEMBL4846191
Type:
Small organic molecule
Emp. Form.:
C33H50ClN5O4
Mol. Mass.:
616.234
SMILES:
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1C(C)CCCC1C)CC(=O)NC1CCC1 |r,wU:24.26,(25.41,-54.01,;15.69,-52.3,;16.83,-53.33,;16.52,-54.83,;15.05,-55.31,;14.73,-56.82,;15.89,-57.85,;17.35,-57.37,;18.5,-58.39,;18.18,-59.9,;17.66,-55.87,;19.12,-55.39,;19.59,-53.92,;21.13,-53.92,;21.61,-55.39,;20.36,-56.29,;20.37,-57.83,;19.13,-58.74,;19.6,-60.2,;21.14,-60.2,;21.62,-58.74,;22.03,-52.67,;21.4,-51.27,;23.56,-52.83,;24.47,-51.59,;23.84,-50.18,;24.74,-48.93,;24.11,-47.53,;22.59,-47.37,;21.68,-48.61,;21.97,-45.96,;22.87,-44.71,;24.4,-44.88,;25.03,-46.28,;26.56,-46.44,;26,-51.74,;26.9,-50.5,;26.27,-49.09,;28.43,-50.66,;29.34,-49.41,;30.86,-49.17,;30.61,-47.64,;29.09,-47.89,)|
Structure:
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