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	Muscarinic acetylcholine receptor M1
Species	Rattus norvegicus (Rat)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
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	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	Oxotremorine
Molecular formula	C12H18N2O
IUPAC name	1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
Molecular weight	206.289
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	0.4
Synonyms	NCGC00024821-01 1-(4-(Pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one Spectrum3_001599 2-PYRROLIDINONE, 1-(4-(1-PYRROLIDINYL)-2-BUTYNYL)- Tremorine, oxo- AC1L1ILJ CC-33422 D0L1XR HMS2231C13 KBio2_007064 Lopac0_000914 NINDS_000410 RSDOPYMFZBJHRL-UHFFFAOYSA-N 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one(Oxotremorine) Spectrum5_001686 ZINC1530795 BRD-K21936341-051-02-4 EINECS 200-728-0 KBio1_000410 KBioGR_001404 NCGC00015773-01 NSC330497 (oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one SPBio_001476 1-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-pyrrolidinium SR-01000075154-3 70-22-4 C-29897 CTK5D2064 GTPL302 KBio2_004496 L001302 NCGC00015773-04 NCGC00024821-02 Oxotremorine1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one Spectrum4_000912 2-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]- UNII-5RY0UWH1JL AC1Q6LI4 CCG-204996 DivK1c_000410 HMS3372G17 KBio2_007529 LS-139008 NSC 330497 SCHEMBL2128 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Spectrum_001448 BRN 1530948 CHEMBL7634 FT-0631303 KBio2_001928 KBioSS_001928 NCGC00015773-02 NCGC00015773-05 Oxotremorin Spectrum2_001568 2'-Oxopyrrolidino-1-pyrrolidino-4-butyne Tocris-0843 AB00053670-07 C07485 D08FOC HMS2089F17 KBio2_004961 Lopac-O-9126 NCGC00024821-03 Oxytremorine 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one (oxotremorphine) Spectrum5_001099 2-Pyrrolidinone,1-[4-(1-pyrrolidinyl)-2-butyn-1-yl]- WLN: T5NVTJ A2UU2- AT5NTJ BDBM50004665 CHEBI:7851 DTXSID10220252 IDI1_000410 KBio3_002698 MLS000766260 NSC-330497 SMR000528860 1-(4-pyrrolidino-2-butynyl)-2-pyrrolidinone Spectrum_001875 5RY0UWH1JL BSPBio_003198 cid_4630 Green tea KBio2_002393 KBioSS_002398 NCGC00015773-03 [ Show all ]
Inchi Key	RSDOPYMFZBJHRL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
PubChem CID	4630
ChEMBL	CHEMBL7634
IUPHAR	302
BindingDB	50004665
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	100.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:8:1033	BindingDB,ChEMBL
IC50	113.0 nM	PMID1732522	BindingDB,ChEMBL
IC50	360.0 nM	, Bioorg. Med. Chem. Lett., (1991) 1:3:147	BindingDB,ChEMBL
Ki	120.0 nM	PMID8246221	BindingDB,ChEMBL
Ki	196.0 nM	PMID1578480	BindingDB,ChEMBL
Ki	490.0 nM	PMID1310135	BindingDB
Ki	1000.0 nM	PMID2537406	IUPHAR
Ki	1.58489e+15 nM	PMID9703467	ChEMBL
pD2	7.1 -	PMID1732522	ChEMBL
pD2	8.0 -	PMID1732522	ChEMBL
Ratio	0.03 -	PMID2258905	ChEMBL
Ratio	1.0 -	PMID2258905	ChEMBL
Ratio	40.4 -	PMID1732522	ChEMBL
Response	13.7 %	PMID1578480	ChEMBL

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