Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588329
Substrate
n/a
Meas. Tech.
ChEMBL_2186719 (CHEMBL5098801)
EC50
0.020000±n/a nM
Citation
 Meng, W; Pi, Z; Brigance, R; Rossi, KA; Schumacher, WA; Bostwick, JS; Gargalovic, PS; Onorato, JM; Luk, CE; Generaux, CN; Wang, T; Wexler, RR; Finlay, HJ Identification of a Hydroxypyrimidinone Compound ( J Med Chem 64:18102-18113 (2021) [PubMed] 
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:
BDBM50588329
Synonyms:
CHEMBL5173464
Type:
Small organic molecule
Emp. Form.:
C27H26FN5O5
Mol. Mass.:
519.5242
SMILES:
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1 |r,wU:19.22,(75.12,-26.02,;73.78,-25.25,;72.45,-26.03,;72.46,-27.58,;71.12,-28.35,;69.78,-27.58,;69.79,-26.03,;68.45,-25.26,;67.12,-26.03,;71.12,-25.26,;71.13,-22.68,;72.46,-21.91,;73.8,-22.68,;72.46,-20.37,;73.79,-19.6,;73.78,-18.06,;75.12,-20.36,;75.3,-21.88,;76.81,-22.2,;77.57,-20.86,;76.54,-19.72,;79.1,-20.69,;79.71,-19.29,;81.24,-19.11,;82.16,-20.36,;81.54,-21.77,;80.01,-21.94,;79.38,-23.34,;71.12,-19.61,;71.12,-18.07,;69.79,-20.39,;69.8,-21.92,;68.47,-22.7,;68.32,-24.24,;66.81,-24.57,;66.03,-23.24,;64.5,-23.09,;67.05,-22.09,)|
Structure:
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