Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588322
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:
BDBM50588322
Synonyms:
CHEMBL5205562
Type:
Small organic molecule
Emp. Form.:
C26H27F2N3O6
Mol. Mass.:
515.5059
SMILES:
CCOCc1nc(=O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(O)n1-c1c(OC)cccc1OC |(.98,-6.01,;2.32,-6.77,;3.65,-5.99,;4.99,-6.74,;6.32,-5.96,;6.3,-4.43,;7.64,-3.65,;7.63,-2.11,;8.98,-4.41,;10.31,-3.64,;10.3,-2.1,;11.64,-4.4,;11.82,-5.92,;13.33,-6.24,;14.09,-4.9,;13.05,-3.76,;15.62,-4.73,;16.23,-3.33,;17.76,-3.15,;18.68,-4.4,;20.21,-4.23,;18.05,-5.81,;16.53,-5.98,;15.9,-7.38,;8.98,-5.95,;10.32,-6.72,;7.65,-6.72,;7.66,-8.26,;8.99,-9.02,;10.32,-8.25,;11.66,-9.01,;9,-10.57,;7.66,-11.34,;6.33,-10.57,;6.33,-9.03,;4.99,-8.26,;3.66,-9.03,)|
Structure:
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