Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588333
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:
BDBM50588333
Synonyms:
CHEMBL5202635
Type:
Small organic molecule
Emp. Form.:
C28H28F2N6O3
Mol. Mass.:
534.5571
SMILES:
CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@H](C2)c2ncc(F)cc2F)c(=O)nc1-c1ccn(C)n1 |r,wD:19.22,(77.45,-40.32,;76.11,-39.55,;74.78,-40.33,;74.79,-41.88,;73.45,-42.65,;72.12,-41.88,;72.12,-40.34,;70.79,-39.57,;69.45,-40.34,;73.45,-39.56,;73.47,-36.98,;74.8,-36.21,;76.13,-36.98,;74.79,-34.68,;76.12,-33.9,;76.11,-32.36,;77.46,-34.66,;77.63,-36.19,;79.14,-36.5,;79.9,-35.16,;78.87,-34.02,;81.44,-34.99,;82.34,-36.24,;83.87,-36.07,;84.49,-34.66,;86.02,-34.49,;83.57,-33.42,;82.04,-33.59,;81.13,-32.35,;73.46,-33.91,;73.45,-32.37,;72.12,-34.69,;72.13,-36.23,;70.8,-37.01,;70.65,-38.54,;69.14,-38.87,;68.36,-37.54,;66.83,-37.4,;69.39,-36.39,)|
Structure:
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