Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588327
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:
BDBM50588327
Synonyms:
CHEMBL5192130
Type:
Small organic molecule
Emp. Form.:
C27H25F2N5O5
Mol. Mass.:
537.5147
SMILES:
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1cnn(C)c1 |(31.71,-25.37,;30.37,-24.6,;29.04,-25.38,;29.05,-26.93,;27.71,-27.7,;26.38,-26.93,;26.38,-25.39,;25.05,-24.62,;23.71,-25.39,;27.71,-24.62,;27.73,-22.03,;29.06,-21.27,;30.39,-22.03,;29.05,-19.73,;30.38,-18.95,;30.37,-17.41,;31.72,-19.72,;31.89,-21.24,;33.4,-21.55,;34.16,-20.21,;33.13,-19.07,;35.69,-20.04,;36.3,-18.64,;37.83,-18.47,;38.75,-19.71,;40.28,-19.54,;38.13,-21.12,;36.6,-21.29,;35.98,-22.7,;27.71,-18.96,;27.71,-17.42,;26.38,-19.74,;26.39,-21.28,;25.06,-22.06,;24.91,-23.59,;23.4,-23.92,;22.62,-22.6,;21.09,-22.45,;23.64,-21.44,)|
Structure:
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