Reaction Details | |||
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Target | Apelin receptor | ||
Ligand | BDBM50544744 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1993676 (CHEMBL4627571) | ||
Ki | 36±n/a nM | ||
Citation | Narayanan, S; Vasukuttan, V; Rajagopal, S; Maitra, R; Runyon, SP Identification of potent pyrazole based APELIN receptor (APJ) agonists. Bioorg Med Chem28:0 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Apelin receptor | |||
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: |
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BDBM50544744 | |||
n/a | |||
Name | BDBM50544744 | ||
Synonyms: | CHEMBL4647996 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H48N4O5 | ||
Mol. Mass. | 556.7366 | ||
SMILES | CCC(O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.75,-9.44,;22.42,-8.67,;21.08,-9.44,;21.09,-10.98,;19.75,-8.68,;18.42,-9.45,;17.08,-8.68,;17.08,-7.14,;15.75,-9.45,;14.41,-8.69,;14.41,-7.15,;15.74,-6.37,;15.74,-4.83,;17.07,-4.07,;17.08,-2.53,;15.74,-1.76,;14.41,-2.53,;14.4,-4.07,;13.08,-9.46,;11.75,-8.69,;11.74,-7.15,;10.41,-9.46,;9.01,-8.84,;7.98,-9.98,;6.44,-9.83,;5.82,-8.43,;6.72,-7.18,;6.09,-5.77,;4.29,-8.26,;3.38,-9.51,;4,-10.92,;5.53,-11.09,;6.16,-12.49,;5.25,-13.74,;8.75,-11.32,;8.13,-12.72,;9.04,-13.96,;8.43,-15.37,;10.58,-13.79,;10.26,-10.99,)| | ||
Structure |