Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588317
Substrate
n/a
Meas. Tech.
ChEMBL_2186719 (CHEMBL5098801)
EC50
0.400000±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:
BDBM50588317
Synonyms:
CHEMBL5185709
Type:
Small organic molecule
Emp. Form.:
C27H29N3O6
Mol. Mass.:
491.5357
SMILES:
COc1cccc(OC)c1-n1c(COC2CC2)nc(=O)c(C(=O)N2CC[C@@H](C2)c2ccccc2)c1O |r,wU:26.30,(81.03,-31.85,;79.69,-31.08,;78.36,-31.86,;78.37,-33.41,;77.03,-34.18,;75.7,-33.41,;75.7,-31.86,;74.36,-31.1,;73.03,-31.87,;77.03,-31.09,;77.02,-29.55,;75.68,-28.8,;74.36,-29.58,;73.02,-28.82,;71.69,-29.6,;70.15,-29.62,;70.93,-30.95,;75.67,-27.26,;77.01,-26.48,;77,-24.94,;78.35,-27.25,;79.67,-26.47,;79.67,-24.93,;81.01,-27.24,;81.19,-28.76,;82.69,-29.07,;83.46,-27.73,;82.42,-26.59,;84.99,-27.57,;85.89,-28.81,;87.42,-28.64,;88.04,-27.23,;87.12,-25.99,;85.6,-26.16,;78.35,-28.79,;79.69,-29.56,)|
Structure:
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