Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588325
Substrate
n/a
Meas. Tech.
ChEMBL_2186719 (CHEMBL5098801)
EC50
1.8±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:
BDBM50588325
Synonyms:
CHEMBL5190307
Type:
Small organic molecule
Emp. Form.:
C29H26F2N4O5
Mol. Mass.:
548.5373
SMILES:
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccc(C)cn1 |(77.13,-11.09,;75.79,-10.32,;74.46,-11.1,;74.47,-12.65,;73.13,-13.42,;71.8,-12.65,;71.8,-11.11,;70.46,-10.34,;69.13,-11.11,;73.13,-10.34,;73.15,-7.75,;74.48,-6.99,;75.81,-7.75,;74.47,-5.45,;75.8,-4.67,;75.79,-3.13,;77.14,-5.44,;77.31,-6.96,;78.82,-7.27,;79.58,-5.93,;78.55,-4.79,;81.11,-5.76,;81.72,-4.36,;83.25,-4.19,;84.17,-5.43,;85.7,-5.26,;83.55,-6.84,;82.02,-7.01,;81.4,-8.42,;73.13,-4.68,;73.13,-3.14,;71.8,-5.46,;71.81,-7,;70.48,-7.78,;70.5,-9.31,;69.18,-10.09,;67.83,-9.33,;66.5,-10.12,;67.82,-7.79,;69.15,-7.01,)|
Structure:
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