Reaction Details
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Apelin receptor
Ligand
BDBM50583259
Substrate
n/a
Meas. Tech.
ChEMBL_2156909 (CHEMBL5041569)
Ki
0.200000±n/a nM
Citation
Tran, K; Sainsily, X; Côté, J; Coquerel, D; Couvineau, P; Saibi, S; Haroune, L; Besserer-Offroy, É; Flynn-Robitaille, J; Resua Rojas, M; Murza, A; Longpré, JM; Auger-Messier, M; Lesur, O; Bouvier, M; Marsault, É; Boudreault, PL; Sarret, P Size-Reduced Macrocyclic Analogues of [Pyr J Med Chem 65:531-551 (2022) [PubMed] Article More Info.:
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:
BDBM50583259
Synonyms:
CHEMBL5094438
Type:
Small organic molecule
Emp. Form.:
C75H114N22O20S
Mol. Mass.:
1675.908
SMILES:
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCN(C\C=C\C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1)S(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,t:34|
Structure:
