Reaction Details  Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571402
Substrate
n/a
Meas. Tech.
ChEMBL_2114593 (CHEMBL4823534)
EC50
14±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:
BDBM50571402
Synonyms:
CHEMBL4851755
Type:
Small organic molecule
Emp. Form.:
C31H42N6O4S
Mol. Mass.:
594.768
SMILES:
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)N(C)c1nccs1 |r,wU:23.26,(5.01,-45.46,;6.16,-46.49,;5.84,-48,;4.37,-48.47,;4.05,-49.98,;5.21,-51.01,;6.67,-50.53,;7.82,-51.55,;7.5,-53.06,;6.98,-49.03,;8.44,-48.55,;8.91,-47.09,;10.45,-47.08,;10.93,-48.55,;9.68,-49.45,;9.69,-50.99,;8.45,-51.9,;8.92,-53.36,;10.46,-53.36,;10.94,-51.9,;11.35,-45.84,;10.72,-44.43,;12.89,-45.99,;13.79,-44.75,;13.16,-43.34,;14.06,-42.09,;13.43,-40.69,;14.35,-39.44,;13.73,-38.04,;12.19,-37.87,;11.29,-39.12,;11.91,-40.53,;15.32,-44.91,;16.22,-43.66,;15.6,-42.25,;17.76,-43.82,;18.38,-45.22,;18.66,-42.57,;20.19,-42.56,;20.66,-41.1,;19.42,-40.2,;18.17,-41.1,)|
Structure:
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