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TargetApelin
LigandBDBM50009567
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1336421 (CHEMBL3242425)
Ki 450±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:
BDBM50009567
n/a
NameBDBM50009567
Synonyms:CHEMBL3234458
TypeSmall organic molecule
Emp. Form.C48H65N9O9S3
Mol. Mass.1008.28
SMILESCCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](C)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:43.45,wD:28.28,(32.21,-2.84,;33.55,-3.6,;33.56,-5.14,;32.23,-5.92,;32.24,-7.46,;34.89,-5.89,;34.9,-7.45,;36.25,-8.2,;37.57,-7.43,;38.91,-8.18,;38.93,-9.72,;37.6,-10.51,;37.62,-12.05,;38.96,-12.79,;40.29,-12.01,;40.27,-10.47,;41.6,-9.69,;40.24,-8.94,;42.94,-10.44,;42.92,-8.9,;38.97,-14.33,;37.43,-14.35,;38.22,-15.67,;40.31,-15.09,;40.31,-16.64,;41.64,-17.41,;41.64,-18.95,;42.98,-19.72,;42.98,-21.26,;44.31,-22.03,;45.64,-21.26,;45.64,-19.72,;46.98,-22.03,;48.31,-21.26,;48.47,-19.72,;49.98,-19.4,;50.75,-20.74,;52.28,-20.9,;49.71,-21.88,;50.1,-23.36,;41.64,-22.03,;41.64,-23.57,;40.31,-21.26,;38.97,-22.03,;38.97,-23.57,;37.64,-21.26,;37.64,-19.72,;36.31,-22.03,;34.97,-21.26,;34.98,-19.72,;33.66,-18.95,;32.32,-19.72,;30.99,-18.94,;32.31,-21.26,;33.65,-22.04,;40.24,-7.39,;41.56,-8.14,;42.88,-7.37,;42.86,-5.83,;41.54,-5.09,;40.23,-5.86,;38.89,-5.1,;37.57,-5.88,;36.23,-5.12,;44.19,-5.05,;45.53,-5.81,;46.86,-5.02,;44.17,-3.51,;42.83,-2.75,)|
Structure
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