Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50567161
Substrate
n/a
Meas. Tech.
ChEMBL_2102446 (CHEMBL4810842)
EC50
0.010000±n/a nM
Citation
 Tora, G; Jiang, J; Bostwick, JS; Gargalovic, PS; Onorato, JM; Luk, CE; Generaux, C; Xu, C; Galella, MA; Wang, T; He, Y; Wexler, RR; Finlay, HJ Identification of 6-hydroxy-5-phenyl sulfonylpyrimidin-4(1H)-one APJ receptor agonists. Bioorg Med Chem Lett 50:0 (2021) [PubMed]  Article 
Target
Name:
Apelin receptor
Synonyms:
APJ_RAT | Agtrl1 | Angiotensin receptor-like 1 | Apelin receptor | Apj | Aplnr | B78 | G-protein coupled receptor APJ | GPCR34
Type:
PROTEIN
Mol. Mass.:
42351.61
Organism:
Rattus norvegicus
Description:
ChEMBL_10710
Residue:
377
Sequence:
MEDDGYNYYGADNQSECDYADWTPSGALIPAIYILVFLLGTTGNGLVLWTVFWSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYREFDWPFGTFSCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAVPVMVFRSTDIPENSTKTQCYMDYSMVATSNSEWAWEVGLGVSSTAVGFVVPFIIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGNLLHWPCDFDSFLMNVFPYCTCISYVNSCLNPFLYAFFDPRFRRACTSMLCCDQSGCKGSPHSSSAEKSASYSSGHSQGPGPNMCKGGEPMHEKSIPYSQETLVD
  
Inhibitor
Name:
BDBM50567161
Synonyms:
CHEMBL4850818
Type:
Small organic molecule
Emp. Form.:
C27H26ClN3O7S
Mol. Mass.:
572.029
SMILES:
CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-n1cc(Cl)ccc1=O |(2.86,-35.48,;4.19,-36.25,;5.53,-35.48,;6.86,-36.24,;8.19,-35.48,;8.2,-33.94,;9.52,-33.16,;9.52,-31.62,;10.86,-33.93,;10.86,-35.48,;12.2,-36.25,;9.53,-36.25,;9.53,-37.79,;10.86,-38.55,;12.19,-37.78,;13.53,-38.54,;10.87,-40.09,;9.53,-40.87,;8.19,-40.09,;8.19,-38.55,;6.86,-37.78,;5.53,-38.55,;12.19,-33.15,;11.41,-31.81,;12.96,-31.81,;13.53,-33.92,;13.53,-35.45,;14.86,-36.22,;16.19,-35.44,;16.18,-33.9,;14.85,-33.14,;17.53,-36.21,;17.53,-37.75,;18.87,-38.51,;18.88,-40.05,;20.2,-37.73,;20.19,-36.19,;18.85,-35.43,;18.84,-33.89,)|
Structure:
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