Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50577753
Substrate
n/a
Meas. Tech.
ChEMBL_2130818 (CHEMBL4840247)
EC50
0.027000±n/a nM
Citation
 Pi, Z; Johnson, JA; Meng, W; Phillips, M; Schumacher, WA; Bostwick, JS; Gargalovic, PS; Onorato, JM; Generaux, CN; Wang, T; He, Y; Gordon, DA; Wexler, RR; Finlay, HJ Identification of 6-Hydroxypyrimidin-4(1 ACS Med Chem Lett 12:1766-1772 (2021) [PubMed]  Article 
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:
BDBM50577753
Synonyms:
CHEMBL4854412
Type:
Small organic molecule
Emp. Form.:
C26H29ClN4O5
Mol. Mass.:
512.985
SMILES:
CCCCc1nc(=O)c(C(=O)N2CC[C@H](C2)c2ccc(Cl)cn2)c(O)n1-c1c(OC)cccc1OC |r,wD:14.16,(65.16,-22.29,;66.5,-23.06,;67.83,-22.28,;69.16,-23.05,;70.51,-22.28,;70.51,-20.75,;71.84,-19.98,;71.83,-18.42,;73.16,-20.75,;74.5,-19.97,;74.5,-18.43,;75.83,-20.74,;75.99,-22.26,;77.5,-22.58,;78.27,-21.25,;77.24,-20.1,;79.8,-21.09,;80.7,-22.34,;82.23,-22.18,;82.86,-20.77,;84.39,-20.61,;81.94,-19.52,;80.42,-19.69,;73.17,-22.27,;74.5,-23.04,;71.84,-23.03,;71.84,-24.57,;73.17,-25.33,;74.5,-24.56,;75.84,-25.32,;73.18,-26.88,;71.84,-27.65,;70.51,-26.88,;70.51,-25.34,;69.18,-24.57,;67.84,-25.34,)|
Structure:
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