Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50014619
Substrate
n/a
Meas. Tech.
ChEMBL_2130817 (CHEMBL4840246)
Kd
4.5±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:
APJ_MOUSE | Agtrl1 | Angiotensin receptor-like 1 | Apj | Aplnr | G-protein coupled receptor APJ | MSR
Type:
PROTEIN
Mol. Mass.:
42269.53
Organism:
Mus musculus
Description:
ChEMBL_120488
Residue:
377
Sequence:
MEDDGYNYYGADNQSECDYADWKPSGALIPAIYMLVFLLGTTGNGLVLWTVFRTSREKRRSADIFIASLAVADLTFVVTLPLWATYTYREFDWPFGTFSCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAVPVMVFRSTDASENGTKIQCYMDYSMVATSNSEWAWEVGLGVSSTAVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDIFLMNVFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCDQSGCKGTPHSSSAEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVD
  
Inhibitor
Name:
BDBM50014619
Synonyms:
CHEMBL3184840
Type:
Small organic molecule
Emp. Form.:
C69H108N22O16S
Mol. Mass.:
1533.799
SMILES:
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Structure:
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