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TargetApelin
LigandBDBM50009557
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1336421 (CHEMBL3242425)
Ki 9000±n/a nM
Citation Margathe, JFIturrioz, XAlvear-Perez, RMarsol, CRiché, SChabane, HTounsi, NKuhry, MHeissler, DHibert, MLlorens-Cortes, CBonnet, D Structure-activity relationship studies toward the discovery of selective apelin receptor agonists. J Med Chem57:2908-19 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Apelin
Name:Apelin
Synonyms:APEL | APEL_HUMAN | APJ endogenous ligand | APLN | Apelin-13 | Apelin-28 | Apelin-31 | Apelin-36
Type:PROTEIN
Mol. Mass.:8579.06
Organism:Homo sapiens (Human)
Description:ChEMBL_108275
Residue:77
Sequence:
MNLRLCVQALLLLWLSLTAVCGGSLMPLPDGNGLEDGNVRHLVQPRGSRNGPGPWQGGRR
KFRRQRPRLSHKGPMPF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50009557
n/a
NameBDBM50009557
Synonyms:CHEMBL3234451
TypeSmall organic molecule
Emp. Form.C70H99N13O10S3
Mol. Mass.1378.81
SMILESCCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)[nH]3)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[nH+]3)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:58.60,wD:44.44,(36.78,-4.41,;38.12,-3.64,;39.45,-4.42,;40.79,-3.65,;40.79,-2.11,;39.44,-5.95,;38.1,-6.72,;38.09,-8.26,;39.42,-9.03,;39.43,-10.57,;38.09,-11.34,;36.75,-10.57,;35.42,-11.34,;35.43,-12.87,;36.76,-13.65,;38.09,-12.88,;39.43,-13.65,;39.42,-12.1,;40.76,-14.42,;39.43,-15.19,;34.09,-13.64,;32.55,-13.64,;33.32,-12.31,;34.09,-15.18,;32.76,-15.95,;31.43,-15.18,;30.09,-15.95,;28.76,-15.18,;27.42,-15.95,;26.09,-15.18,;24.76,-15.95,;23.42,-15.18,;22.09,-15.95,;20.76,-15.18,;19.42,-15.95,;18.09,-15.18,;16.76,-15.95,;15.42,-15.18,;15.42,-13.64,;14.09,-15.95,;14.09,-17.49,;15.42,-18.26,;15.42,-19.8,;16.76,-20.57,;16.76,-22.11,;18.09,-22.88,;19.42,-22.11,;19.42,-20.57,;20.76,-22.88,;22.09,-22.11,;22.25,-20.58,;23.75,-20.26,;24.52,-21.6,;26.06,-21.76,;23.49,-22.74,;15.42,-22.88,;15.42,-24.42,;14.09,-22.11,;12.75,-22.88,;12.75,-24.42,;13.93,-25.41,;15.41,-24.95,;16.29,-26.21,;17.81,-26.49,;18.33,-27.94,;17.33,-29.1,;17.85,-30.55,;19.37,-30.82,;20.37,-29.64,;19.84,-28.2,;15.37,-27.45,;13.91,-26.95,;11.42,-22.11,;11.42,-20.57,;10.09,-22.88,;8.75,-22.11,;8.75,-20.57,;7.43,-19.8,;6.09,-20.57,;4.99,-19.46,;6.09,-22.11,;7.42,-22.89,;40.77,-11.34,;40.76,-12.86,;42.08,-13.63,;43.41,-12.86,;43.41,-11.34,;42.09,-10.58,;42.1,-9.04,;40.77,-8.27,;40.78,-6.73,;44.74,-13.63,;46.07,-12.86,;46.07,-11.32,;44.74,-15.17,;46.08,-15.94,)|
Structure
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