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GPCR

Name	Nociceptin receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRL1
Synonym	Kappa-type 3 opioid receptor KOR-3 Orphanin FQ receptor XOR
Disease	N/A for non-human GPCRs
Length	370
Amino acid sequence	MESLFPAPFWEVLYGSHLQGNLSLLSPNHSGLPPHLLLNASHSAFLPLGLKVTIVGLYLAVCIGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQATDILLGFWPFGNTLCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALALVVGVPVAIMGSAQVEDEEIECLVEIPDPQDYWGPVFAVSIFLFSFIIPVLIISVCYSLMIRRLHGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETTVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALHREMQVSDRVRSIAKDVALGCKTTETVPRPA
UniProt	P47748
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5492
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	U-69593
Molecular formula	C22H32N2O2
IUPAC name	N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Molecular weight	356.51
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.0
Synonyms	Benzeneacetamide, N-methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-, [5R-(5alpha,7alpha,8beta)]- DSSTox_GSID_46326 MFCD05664586 N-Methyl-N-[(5R)-7alpha-(1-pyrrolidinyl)-1-oxaspiro[4.5]decan-8beta-yl]benzeneacetamide Tox21_112026_1 UNII-J5S4K6TKTG AS-16910 BDBM21130 GTPL1655 N-methyl-2-phenyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide NCGC00163179-03 U-69,593 [3H]U69593 96744-75-1 benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]- D0V3OY KB-62197 N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide SCHEMBL726034 U69,593 (5alpha,7alpha,8beta)-(-)-N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide AOB5676 BCP0726000202 CAS-96744-75-1 DSSTox_RID_81542 N-methyl-2-phenyl-N-((5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl)acetamide NCGC00163179-01 U 69,593 ZINC2517042 Benzeneacetamide, N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)- CHEMBL440765 GTPL1656 N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide PDSP2_001518 (+)-(5alpha,7alpha,8beta)-N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-benzeneacetamide AC1L2Y1T Benzeneacetamide, N-methyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]- (9CI) DSSTox_CID_26326 LS-182245 N-Methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4,5)dec-8-yl)benzeneacetamide Tox21_112026 U69593 1-Oxaspiro[4.5]decane, benzeneacetamide deriv. API0007632 BCP23063 CHEBI:73357 DTXSID3046326 n-methyl-2-phenyl-n-[(5r,7s,8s)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]dec-8-yl]acetamide NCGC00163179-02 U 69593 [3H]-U69593 Benzeneacetamide, N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-, (5alpha,7alpha,8beta)-(-)- D01FSE J5S4K6TKTG N-methyl-2-phenyl-N-[(5R,8S,9S)-9-pyrrolidin-1-yl-4-oxaspiro[4.5]decan-8-yl]acetamide PGZRDDYTKFZSFR-ONTIZHBOSA-N U-69593, solid (+)-(5\|A,7\|A,8\|A)-N-Methyl-N-[7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]-benzeneacetamide AC1Q5HUW [ Show all ]
Inchi Key	PGZRDDYTKFZSFR-ONTIZHBOSA-N
Inchi ID	InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
PubChem CID	105104
ChEMBL	CHEMBL440765
IUPHAR	1655, 1656
BindingDB	21130
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1099.0 nM	PMID16777416	ChEMBL

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