Reaction Details | |||
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Target | Gonadotropin-releasing hormone receptor | ||
Ligand | BDBM50272666 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_510058 (CHEMBL995201) | ||
Ki | 1.2±n/a nM | ||
Citation | Regan, CF; Guo, Z; Chen, Y; Huang, CQ; Chen, M; Jiang, W; Rueter, JK; Coon, T; Chen, C; Saunders, J; Brown, MS; Betz, SF; Struthers, RS; Yang, C; Wen, J; Madan, A; Zhu, YF Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties. Bioorg Med Chem Lett18:4503-7 (2008) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Gonadotropin-releasing hormone receptor | |||
Name: | Gonadotropin-releasing hormone receptor | ||
Synonyms: | GNRHR | GNRHR_HUMAN | GRHR | GnRH receptor | GnRH-R | Gonadotropin releasing hormone 1 (GnRHR1) | Gonadotropin-releasing hormone receptor | Gonadotropin-releasing hormone receptor (GnRH) | ||
Type: | Enzyme | ||
Mol. Mass.: | 37749.45 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P30968 | ||
Residue: | 328 | ||
Sequence: |
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BDBM50272666 | |||
n/a | |||
Name | BDBM50272666 | ||
Synonyms: | (R)-5-(3-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methyl-3-(2-(methylamino)-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-fluorophenoxy)pentanoic acid | CHEMBL451916 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H32F5N3O5 | ||
Mol. Mass. | 645.6163 | ||
SMILES | CN[C@@H](Cn1c(=O)c(c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)-c1cccc(OCCCCC(O)=O)c1F)c1ccccc1 |r,wD:2.1,(29.55,-7.07,;30.88,-6.3,;30.88,-4.76,;32.21,-3.99,;33.55,-4.75,;34.87,-3.97,;34.87,-2.43,;36.2,-4.75,;36.2,-6.29,;37.54,-7.06,;34.87,-7.05,;34.87,-8.59,;34.09,-9.92,;34.92,-11.21,;36.46,-11.13,;34.23,-12.58,;32.68,-12.66,;31.85,-11.36,;32.55,-9.99,;31.72,-8.7,;30.9,-7.39,;30.42,-9.52,;33.02,-7.87,;33.55,-6.29,;32.21,-7.06,;37.53,-3.99,;38.86,-4.77,;40.2,-4,;40.21,-2.46,;38.86,-1.69,;38.86,-.15,;40.2,.62,;40.2,2.16,;41.53,2.93,;41.53,4.47,;42.86,5.25,;44.2,4.48,;42.86,6.79,;37.53,-2.46,;36.2,-1.69,;29.54,-3.99,;29.55,-2.46,;28.21,-1.69,;26.88,-2.46,;26.89,-4.01,;28.22,-4.77,)| | ||
Structure |