Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Kappa-type opioid receptor | ||
Ligand | BDBM50271957 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_556764 (CHEMBL961462) | ||
IC50 | 362±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: |
| ||
BDBM50271957 | |||
n/a | |||
Name | BDBM50271957 | ||
Synonyms: | (3R,6R)-3-Cyclohexyl-6-(4-methoxy-benzyl)-7-(4-methyl-cyclohexylmethyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium | ||
Type | Small organic molecule | ||
Emp. Form. | C27H42N3O | ||
Mol. Mass. | 424.6413 | ||
SMILES | COc1ccc(C[C@@H]2CN3[C@@H](C[NH+]=C3N2CC2CCC(C)CC2)C2CCCCC2)cc1 |r,wU:7.6,10.25,c:12,(5.32,1,;3.78,1.03,;2.98,-.28,;3.71,-1.64,;2.91,-2.95,;1.37,-2.9,;.57,-4.21,;-.97,-4.17,;-1.84,-2.9,;-3.32,-3.34,;-4.78,-2.82,;-5.72,-4.05,;-4.85,-5.32,;-3.36,-4.88,;-1.91,-5.4,;-1.47,-6.88,;.03,-7.24,;.46,-8.72,;1.95,-9.08,;3.02,-7.97,;4.51,-8.33,;2.58,-6.49,;1.08,-6.12,;-5.22,-1.34,;-4.16,-.23,;-4.59,1.24,;-6.09,1.6,;-7.15,.49,;-6.72,-1,;.63,-1.56,;1.43,-.25,)| | ||
Structure |