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 M4
Species	Gallus gallus (Chicken)
Gene	CHRM4
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	490
Amino acid sequence	MHNLSAQPWQAKMANLTYDNVTLSNRSEVAIQPPTNYKTVELVFIATVTGSLSLVTVVGNILVMLSIKVNRQLQTVNNYFLFSLACADLIIGVFSMNLYTVYIIKGYWPLGAVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWILSFILWAPAILFWQFIVGKRTVHERECYIQFLSNPAVTFGTAIAAFYLPVVIMTVLYIHISLASRSRVRRHKPESRKERKGKSLSFFKAPPVKQNNNNSPKRAVEVKEEVRNGKVDDQPSAQTEATGQQEEKETSNESSTVSMTQTTKDKPTTEILPAGQGQSPAHPRVNPTSKWSKIKIVTKQTGTESVTAIEIVPAKAGASDHNSLSNSRPANVARKFASIARSQVRKKRQMAAREKKVTRTIFAILLAFILTWTPYNVMVLINTFCETCVPETVWSIGYWLCYVNSTINPACYALCNATFKKTFKHLLMCQYRNIGTAR
UniProt	P17200
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	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	HOMATROPINE
Molecular formula	C16H21NO3
IUPAC name	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
Molecular weight	275.348
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.9
Synonyms	Mandelic acid, 3d-tropanyl ester NCGC00162198-01 SR-01000075900-6 (RS)-3alpha(1alphaH,5alphaH)-Tropanylmandelat BRN 0087959 Homatropin MCULE-7109134658 NSC60600 Tropine, mandelate (ester) 3.alpha.-Hydroxy-1.alpha.H,5.alpha.H-tropanium mandelate (ester) AKOS005605558 CHEMBL1237117 Homoatropine NCGC00015489-02 SBB057543 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenyl-acetate 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate BDBM82370 DL-Mandelsaeure-tropylester Lopac0_000592 Mandelyltropeine NCI60_004650 STK693930 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester) AC1L1GCH CAS_87-00-3 Methylhomatropinum NSC_5821 Tropinmandelsaeureester 3alpha-Tropylmandelat alpha-Hydroxybenzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]octan-3-yl ester CTK8D8671 Homotropine NCGC00015489-03 SCHEMBL23970 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate # Benzeneacetic acid, .alpha.-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)- EINECS 201-716-8 LS-158015 Mandelytropeine NSC-60600 Tropine, mandelate 1.alpha.H,5.alpha.H-Tropan-3-.alpha.-ol, mandelate AC1Q625F CCG-204681 Homatropine [BAN] MolPort-001-779-641 Omatropina [DCIT] ZTVIKZXZYLEVOL-UHFFFAOYSA-N (.+/-.)-Homatropine 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 2-hydroxy-2-phenylacetate AN-15060 DL-Homatropine hydrobromide L000927 [ Show all ]
Inchi Key	ZTVIKZXZYLEVOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3
PubChem CID	3623
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82370
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	72.44 nM	PMID2250662	BindingDB

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