Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588319
Substrate
n/a
Meas. Tech.
ChEMBL_2186719 (CHEMBL5098801)
EC50
1.9±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:
BDBM50588319
Synonyms:
CHEMBL5190259
Type:
Small organic molecule
Emp. Form.:
C27H28F3N3O5
Mol. Mass.:
531.5235
SMILES:
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c(=O)nc1CCCC(F)(F)F |r,wU:19.22,(33.2,-48.85,;31.86,-48.09,;30.53,-48.86,;30.53,-50.41,;29.2,-51.18,;27.86,-50.41,;27.86,-48.87,;26.53,-48.1,;25.2,-48.87,;29.19,-48.1,;29.19,-46.56,;30.52,-45.79,;31.85,-46.56,;30.51,-44.25,;31.84,-43.48,;31.83,-41.94,;33.18,-44.24,;33.35,-45.76,;34.86,-46.07,;35.63,-44.74,;34.59,-43.6,;37.16,-44.57,;38.06,-45.81,;39.59,-45.65,;40.21,-44.24,;39.29,-42.99,;37.77,-43.16,;29.18,-43.48,;29.17,-41.94,;27.84,-44.27,;27.85,-45.8,;26.52,-46.58,;25.18,-45.82,;23.86,-46.6,;22.52,-45.84,;21.19,-46.63,;22.5,-44.3,;21.18,-45.07,)|
Structure:
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