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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Kappa-type opioid receptor | ||
| Ligand | BDBM50271959 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_556764 (CHEMBL961462) | ||
| IC50 | 425±n/a nM | ||
| Citation |  Martínez-Mayorga, K; Medina-Franco, JL; Giulianotti, MA; Pinilla, C; Dooley, CT; Appel, JR; Houghten, RA Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis. Bioorg Med Chem16:5932-8 (2008) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Kappa-type opioid receptor | |||
| Name: | Kappa-type opioid receptor | ||
| Synonyms: | Kappa Opioid Receptor | OPIATE Kappa | OPRK1 | OPRK_CAVPO | Opiate Kappa 1 | mu/kappa opioid receptor | ||
| Type: | G Protein-Coupled Receptor (GPCR) | ||
| Mol. Mass.: | 42744.99 | ||
| Organism: | Cavia porcellus (domestic guinea pig) | ||
| Description: | P41144 | ||
| Residue: | 380 | ||
| Sequence: |
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| BDBM50271959 | |||
| n/a | |||
| Name | BDBM50271959 | ||
| Synonyms: | (3S,6R)-6-(4-Methoxy-benzyl)-3-methyl-7-(4-methyl-cyclohexylmethyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H34N3O | ||
| Mol. Mass. | 356.5243 | ||
| SMILES | COc1ccc(C[C@@H]2CN3[C@@H](C)C[NH+]=C3N2CC2CCC(C)CC2)cc1 |r,wU:7.6,wD:10.10,c:13,(2.71,-16.19,;1.17,-16.16,;.37,-17.47,;1.1,-18.83,;.3,-20.14,;-1.24,-20.09,;-2.04,-21.4,;-3.58,-21.36,;-4.45,-20.09,;-5.93,-20.53,;-7.39,-20.01,;-7.83,-18.53,;-8.33,-21.24,;-7.46,-22.51,;-5.97,-22.07,;-4.52,-22.59,;-4.08,-24.07,;-5.14,-25.19,;-6.63,-24.82,;-7.69,-25.93,;-7.26,-27.41,;-8.32,-28.52,;-5.76,-27.77,;-4.69,-26.66,;-1.98,-18.75,;-1.18,-17.44,)| | ||
| Structure | 
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