Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50244579
Substrate
n/a
Meas. Tech.
ChEMBL_1673874 (CHEMBL4023903)
Ki
0.150000±n/a nM
Citation
 Trân, K; Murza, A; Sainsily, X; Coquerel, D; Côté, J; Belleville, K; Haroune, L; Longpré, JM; Dumaine, R; Salvail, D; Lesur, O; Auger-Messier, M; Sarret, P; Marsault, É A Systematic Exploration of Macrocyclization in Apelin-13: Impact on Binding, Signaling, Stability, and Cardiovascular Effects. J Med Chem 61:2266-2277 (2018) [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:
BDBM50244579
Synonyms:
CHEMBL4094033
Type:
Small organic molecule
Emp. Form.:
C75H116N24O20S
Mol. Mass.:
1705.937
SMILES:
CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCN(C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O)NC(=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 |r,c:21|
Structure:
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