Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588326
Substrate
n/a
Meas. Tech.
ChEMBL_2186719 (CHEMBL5098801)
EC50
0.030000±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:
BDBM50588326
Synonyms:
CHEMBL5202233
Type:
Small organic molecule
Emp. Form.:
C27H24F2N4O5S
Mol. Mass.:
554.565
SMILES:
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1csc(C)n1 |(11.18,-24.55,;9.84,-23.79,;8.51,-24.56,;8.52,-26.11,;7.18,-26.88,;5.84,-26.11,;5.85,-24.57,;4.51,-23.8,;3.18,-24.57,;7.17,-23.8,;7.19,-21.22,;8.52,-20.45,;9.86,-21.22,;8.52,-18.91,;9.85,-18.14,;9.84,-16.6,;11.18,-18.9,;11.36,-20.42,;12.87,-20.73,;13.63,-19.4,;12.59,-18.26,;15.16,-19.23,;15.77,-17.82,;17.3,-17.65,;18.22,-18.9,;19.75,-18.72,;17.6,-20.31,;16.07,-20.47,;15.44,-21.88,;7.18,-18.14,;7.18,-16.6,;5.85,-18.93,;5.86,-20.46,;4.53,-21.24,;4.37,-22.77,;2.87,-23.11,;2.09,-21.78,;.56,-21.63,;3.11,-20.63,)|
Structure:
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