Reaction Details  Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571378
Substrate
n/a
Meas. Tech.
ChEMBL_2114591 (CHEMBL4823532)
EC50
2110±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:
BDBM50571378
Synonyms:
CHEMBL4852570
Type:
Small organic molecule
Emp. Form.:
C27H39ClN4O5
Mol. Mass.:
535.075
SMILES:
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(O)=O |r,wU:24.26,(57.58,-16.5,;46.68,-13.06,;47.83,-14.09,;47.51,-15.59,;46.05,-16.07,;45.73,-17.58,;46.88,-18.61,;48.34,-18.13,;49.49,-19.15,;49.18,-20.66,;48.65,-16.63,;50.11,-16.15,;50.58,-14.68,;52.12,-14.68,;52.6,-16.15,;51.36,-17.05,;51.36,-18.59,;50.12,-19.5,;50.59,-20.96,;52.13,-20.96,;52.61,-19.5,;53.03,-13.43,;52.4,-12.03,;54.56,-13.59,;55.46,-12.35,;54.83,-10.94,;55.74,-9.69,;55.11,-8.29,;56.02,-7.04,;55.4,-5.64,;53.87,-5.47,;52.96,-6.72,;53.58,-8.13,;56.99,-12.5,;57.9,-11.26,;59.43,-11.42,;57.27,-9.85,)|
Structure:
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