Zhang Lab

National University of Singapore

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 ●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	tcpobop
Molecular formula	C16H8Cl4N2O2
IUPAC name	3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine
Molecular weight	402.052
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.0
Synonyms	CJ-29650 F3284-1261 Lopac-T-1443 NCGC00016001-01 NCGC00094431-02 Pyridine,2,2'-[1,4-phenylenebis(oxy)]bis[3,5-dichloro- 1,4-Bis(2-(3,5-dichloropyridyloxy))benzene T 1443 2,2'-[benzene-1,4-diylbis(oxy)]bis(3,5-dichloropyridine) ZINC1751810 76150-91-9 BIDD:PXR0116 DSSTox_CID_175 HMS2488C03 LS-131890 NCGC00016001-04 NCGC00256438-01 Spectrum5_002035 1,4-Bis-[2-(3,5-dichloropyridyloxy)]benzene TCPOBOP, >=98% (HPLC), solid 3,3',5,5'-Tetrachloro-1,4-bis(pyridyloxy)benzene AC1Q3KP4 CCG-205248 CHEMBL488803 DTXSID8020175 KB-60701 MLS000532100 NCGC00016001-07 Pyridine, 2,2'-(1,4-phenylenebis(oxy))bis(3,5-dichloro- 1,4-BDPOB SR-01000076146-5 2,2'-(1,4-Phenylenebis(oxy))bis(3,5-dichloropyridine) Tox21_501174 3,5-dichloro-2-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]pyridine B6644 CTK5E2523 FT-0715320 Lopac0_001174 NCGC00016001-02 NCGC00094431-03 SCHEMBL240269 1,4-Bis(3,5-Dichloro-2-pyridinyloxy)benzene TCD 2-[4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]-3,5-bis(chloranyl)pyridine 99916-31-1 C-44342 DSSTox_GSID_20175 HMS3263L09 MCULE-6622369223 NCGC00016001-05 NCGC00257722-01 SR-01000076146 1,4-bis[(3,5-dichloropyridin-2-yl)oxy]benzene Tox21_200168 3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine AC1Q3S6R CCRIS 3521 cid_5382 EU-0101174 KS-00001850 MolPort-000-659-900 NCGC00094431-01 PYRIDINE, 2,2'-[1,4-PHENYLENEBIS(OXY)]BIS[3,5-DICHLORO- 1,4-bis((3,5-dichloropyridin-2-yl)oxy)benzene STK018912 2,2'-[1,4-phenylenebis(oxy)]bis(3,5-dichloropyridine) Z56756152 3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE BDBM89873 D02BPI GTPL2756 LP01174 NCGC00016001-03 NCGC00094431-04 SMR000137041 1,4-bis(3,5-dichloropyridin-2-yloxy)benzene 3,3 inverted exclamation marka,5,5 inverted exclamation marka-Tetrachloro-1,4-bis(pyridyloxy)benzene AC1L1K8B CAS-76150-91-9 DSSTox_RID_75417 IN1064 MFCD00057368 NCGC00016001-06 NCGC00261859-01 SR-01000076146-1 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene Tox21_302870 3,5-dichloro-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]pyridine AKOS001026934 [ Show all ]
Inchi Key	BAFKRPOFIYPKBQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
PubChem CID	5382
ChEMBL	CHEMBL488803
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	281.8 nM	PubChem BioAssay data set	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417