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Target
Apelin receptor
Ligand
BDBM50544741
Substrate
n/a
Meas. Tech.
ChEMBL_1993673 (CHEMBL4627568)
EC50
411±n/a nM
Citation
 Narayanan, S; Vasukuttan, V; Rajagopal, S; Maitra, R; Runyon, SP Identification of potent pyrazole based APELIN receptor (APJ) agonists. Bioorg Med Chem 28:0 (2020) [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:
BDBM50544741
Synonyms:
CHEMBL4644715
Type:
Small organic molecule
Emp. Form.:
C29H38N4O5
Mol. Mass.:
522.6358
SMILES:
COCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:7.7,(81.02,-47.56,;79.69,-48.33,;78.35,-47.57,;77.02,-48.34,;75.69,-47.57,;74.35,-48.34,;74.36,-49.88,;73.02,-47.57,;73.02,-46.03,;74.35,-45.26,;74.35,-43.72,;75.68,-42.95,;75.68,-41.42,;74.35,-40.65,;73.01,-41.42,;73.01,-42.96,;71.69,-48.35,;70.35,-47.58,;70.35,-46.04,;69.02,-48.35,;67.61,-47.73,;66.58,-48.87,;65.05,-48.72,;64.42,-47.31,;65.32,-46.07,;64.7,-44.66,;62.89,-47.15,;61.98,-48.4,;62.6,-49.81,;64.14,-49.97,;64.76,-51.38,;63.86,-52.63,;67.35,-50.21,;66.74,-51.61,;67.65,-52.85,;67.03,-54.26,;69.18,-52.68,;68.86,-49.88,)|
Structure:
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