Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588328
Substrate
n/a
Meas. Tech.
ChEMBL_2186719 (CHEMBL5098801)
EC50
0.020000±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:
BDBM50588328
Synonyms:
CHEMBL5208127
Type:
Small organic molecule
Emp. Form.:
C27H25F2N5O5
Mol. Mass.:
537.5147
SMILES:
COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccn(C)n1 |(52.2,-24.92,;50.86,-24.15,;49.53,-24.93,;49.53,-26.48,;48.2,-27.25,;46.86,-26.48,;46.86,-24.93,;45.53,-24.16,;44.2,-24.94,;48.19,-24.16,;48.21,-21.58,;49.54,-20.81,;50.88,-21.58,;49.54,-19.28,;50.86,-18.5,;50.86,-16.96,;52.2,-19.26,;52.38,-20.79,;53.89,-21.1,;54.65,-19.76,;53.61,-18.62,;56.18,-19.59,;56.79,-18.19,;58.32,-18.02,;59.24,-19.26,;60.77,-19.09,;58.61,-20.67,;57.09,-20.84,;56.46,-22.25,;48.2,-18.51,;48.19,-16.97,;46.86,-19.29,;46.88,-20.83,;45.55,-21.61,;45.39,-23.14,;43.89,-23.47,;43.11,-22.14,;41.58,-22,;44.13,-20.99,)|
Structure:
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