Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50588331
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:
BDBM50588331
Synonyms:
CHEMBL5193130
Type:
Small organic molecule
Emp. Form.:
C29H29F2N5O3
Mol. Mass.:
533.5691
SMILES:
CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CCC(C2)c2c(F)cccc2F)c(=O)nc1-c1ccn(C)n1 |(35.11,-41.13,;33.77,-40.37,;32.44,-41.14,;32.45,-42.7,;31.11,-43.47,;29.78,-42.7,;29.78,-41.15,;28.44,-40.38,;27.11,-41.15,;31.11,-40.38,;31.13,-37.8,;32.45,-37.03,;33.79,-37.8,;32.45,-35.49,;33.78,-34.72,;33.77,-33.18,;35.12,-35.48,;35.29,-37,;36.8,-37.32,;37.56,-35.98,;36.53,-34.84,;39.09,-35.81,;40,-37.06,;39.38,-38.46,;41.53,-36.89,;42.15,-35.48,;41.23,-34.23,;39.7,-34.41,;38.79,-33.17,;31.11,-34.73,;31.11,-33.19,;29.78,-35.51,;29.79,-37.04,;28.46,-37.82,;28.31,-39.36,;26.8,-39.69,;26.02,-38.36,;24.49,-38.21,;27.04,-37.21,)|
Structure:
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