Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588330
Substrate
n/a
Meas. Tech.
ChEMBL_2186719 (CHEMBL5098801)
EC50
0.040000±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:
BDBM50588330
Synonyms:
CHEMBL5197398
Type:
Small organic molecule
Emp. Form.:
C29H30FN5O3
Mol. Mass.:
515.5786
SMILES:
CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1 |r,wU:19.22,(13.35,-41.59,;12.01,-40.83,;10.68,-41.6,;10.69,-43.15,;9.35,-43.93,;8.01,-43.15,;8.02,-41.61,;6.68,-40.84,;5.35,-41.61,;9.34,-40.84,;9.36,-38.26,;10.69,-37.49,;12.03,-38.26,;10.69,-35.95,;12.02,-35.18,;12.01,-33.64,;13.35,-35.94,;13.53,-37.46,;15.04,-37.77,;15.8,-36.44,;14.76,-35.3,;17.33,-36.27,;17.94,-34.87,;19.47,-34.69,;20.39,-35.94,;19.77,-37.35,;18.24,-37.52,;17.61,-38.92,;9.35,-35.18,;9.35,-33.64,;8.02,-35.97,;8.03,-37.5,;6.7,-38.28,;6.54,-39.82,;5.04,-40.15,;4.26,-38.82,;2.73,-38.67,;5.28,-37.67,)|
Structure:
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