Reaction Details |
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Target | Kappa-type opioid receptor |
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Ligand | BDBM50130563 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_146507 (CHEMBL754616) |
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Ki | 0.320000±n/a nM |
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Citation | Thomas, JB; Atkinson, RN; Vinson, NA; Catanzaro, JL; Perretta, CL; Fix, SE; Mascarella, SW; Rothman, RB; Xu, H; Dersch, CM; Cantrell, BE; Zimmerman, DM; Carroll, FI Identification of (3R)-7-hydroxy-N-((1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)- 3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl)-1,2,3,4-tetrahydro- 3-isoquinolinecarboxamide as a novel potent and selective opioid kappa receptor antagonist. J Med Chem46:3127-37 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Kappa-type opioid receptor |
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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: | MGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPV
IITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYL
MNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINI
CIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVL
IIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALG
STSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRV
RNTVQDPAYMRNVDGVNKPV
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BDBM50130563 |
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n/a |
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Name | BDBM50130563 |
Synonyms: | (3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | (3R)-7-hydroxy-N-(1S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl-2-methylpropyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | (3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | (R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | 7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(S)-1-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide | 7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {1-[4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide | CHEMBL415247 | atrans-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine |
Type | Small organic molecule |
Emp. Form. | C28H39N3O3 |
Mol. Mass. | 465.6276 |
SMILES | CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| |
Structure |
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