Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Mu-type opioid receptor
Species	Cavia porcellus (Guinea pig)
Gene	OPRM1
Synonym	M-OR-1 MOR-1
Disease	N/A for non-human GPCRs
Length	98
Amino acid sequence	YTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProt	P97266
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	CHEMBL4354
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	AC1L2Y1T 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 API0007632 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. 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 AC1Q5HUW 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 AS-16910 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 96744-75-1 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 AOB5676 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 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 [ 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
ED50	684.0 nM	PMID11300879	ChEMBL
ED50	2142.0 nM	PMID11300879	ChEMBL
Emax	167.0 -	PMID10571174	ChEMBL
Emax	167.0 nM	PMID10612597, PMID11300879	ChEMBL
Emax	177.0 -	PMID10571174	ChEMBL
Emax	177.0 nM	PMID10612597, PMID11300879	ChEMBL
IC50	1760.0 nM	PMID7853350, PMID8071934	ChEMBL
Kd	684.0 nM	PMID10571174, PMID10612597	BindingDB,ChEMBL
Kd	2142.0 nM	PMID10571174, PMID10612597	BindingDB,ChEMBL
Ki	52.0 nM	PMID2832603	BindingDB,ChEMBL
Ki	551.0 nM	PMID1361580	ChEMBL
Ki	692.0 nM	PMID16777416, PMID9686407	BindingDB,ChEMBL
Ki	1880.0 nM	PMID12930147	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218