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Target
Apelin receptor
Ligand
BDBM50544752
Substrate
n/a
Meas. Tech.
ChEMBL_1993671 (CHEMBL4627566)
EC50
518±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:
BDBM50544752
Synonyms:
CHEMBL4642566
Type:
Small organic molecule
Emp. Form.:
C29H41N3O5
Mol. Mass.:
511.6529
SMILES:
COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)|
Structure:
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