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	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

Ligand

Name	Tacrine
Molecular formula	C13H14N2
IUPAC name	1,2,3,4-tetrahydroacridin-9-amine
Molecular weight	198.269
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	Tacrinal 2aox KBioGR_001337 Tenakrin NCGC00015054-02 Tox21_302277 9-Amino-1,2,3,4-Tetrahydroacridine Hydrate Hydrochloride Hydrate NCGC00015054-10 AB0126098 NE25597 ANW-46208 Prestwick3_000329 BRD-K81473089-003-03-0 SPBio_002258 C13H14N2 ST24026722 Cognex (TN) DSSTox_GSID_37272 1,2,3,4-Tetrahydro-acridin-9-ylamine HMS2089F19 KBio1_000936 Tacrine (INN) 4VX7YNB537 Lopac0_000036 Tetrahydroaminocrin 9-Acridinamine, 1,2,3,4-tetrahydro- (9CI) NCGC00015054-05 VZ20338 A18628 NCGC00024908-03 Acridine, 1,2,3,4-tetrahydro-9-amino- PDSP1_000330 BCP03564 Romotal (Salt/Mix) BRN 0147610 Spectrum4_000819 CHEBI:45980 Tacrina D0E6YQ 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE EINECS 206-291-2 1,2,3,4-Tetrahydroaminoacridine 1mx1 KBio2_006032 Tacrinum [INN-Latin] 5-Amino-6,7,8,9-tetrahydroacridine MolPort-000-881-472 Tox21_110073 9-amino-1,2,3,4-tetrahydroacridine NCGC00015054-08 ZINC19014866 AB00053524_18 NCGC00255540-01 AE-641/00604043 Prestwick1_000329 BIDD:GT0090 SCHEMBL2828 C-110 SR-01000075593-13 cid_1935 DivK1c_000936 1,2,3,4-Tetrahydro-9-aminoacridine FT-0631953 Tacrinal (TN) 321-64-2 KBioSS_000896 Tetrahydroaminacrine NCGC00015054-03 Tracine 9-AMINOTETRAHYDROACRIDINE NCGC00015054-12 AC1L1CK0 NINDS_000936 BAS 00232275 R9947 BRD-K81473089-003-04-8 Spectrum2_001812 CAS-321-64-2 STK101308 CS 12602 DSSTox_RID_79318 1,2,3,4-tetrahydroacridin-9-amine IDI1_000936 KBio2_000896 Tacrine [INN:BAN] 5,6,7,8-tetrahydroacridin-9-amine LS-1191 Tetrahydroaminocrine 9-Acridinamine, 1,2,3,4-tetrahydro-(9CI) NCGC00015054-06 YLJREFDVOIBQDA-UHFFFAOYSA-N AB00053524 NCGC00024908-04 Acridine, 9-amino-1,2,3,4-tetrahydro- PDSP2_000328 BCP9000019 SBB003560 BSPBio_000337 Spectrum5_001402 DB-000650 1,2,3,4-TETRAHYDRO-9-ACRIDINAMINE (SEE ALSO 1684-40-8) EU-0010966 1684-40-8 (hydrochloride) Tacrina [INN-Spanish] 2aow KBio3_002518 TC-134953 5-Amino-6,7,8,9-tetrahydroacridine (European) NCGC00015054-01 Tox21_110073_1 9-amino-1,2,3,4-tetrahydroacridine (THA) NCGC00015054-09 AB00053524_19 NCIOpen2_003667 AKOS000277493 Prestwick2_000329 BPBio1_000371 SPBio_001823 C01453 ST083243 Cognex DSSTox_CID_17272 1,2,3,4-tetrahydro-acridin-9-yl-amine GTPL6687 KB-216200 4CH-007616 Lopac-A-3773 Tetrahydroaminoacridine 9-Acridinamine, 1,2,3,4-tetrahydro- NCGC00015054-04 UNII-4VX7YNB537 9-THA NCGC00024908-01 AC1Q51C5 Oprea1_008681 BBL001044 Romotal BRD-K81473089-003-15-4 Spectrum3_001709 CCG-204132 Tacrin D08555 1,2,3,4-tetra -hydro-9-acridinamine DTXSID1037272 1,2,3,4-tetrahydroacridin-9-amine dihydrochloride KBio2_003464 Tacrinum 5,6,7,8-tetrahydroacridine-9-ylamine MCULE-3628803328 Tocris-0965 9-Acridinamine,1,2,3,4-tetrahydro- NCGC00015054-07 Z56790573 AB00053524-17 NCGC00024908-05 Acridine, 9-aminotetrahydro- Prestwick0_000329 BDBM8961 SBI-0050025.P003 BSPBio_003298 Spectrum_000416 CHEMBL95 DB00382 1,2,3,4-Tetrahydro-9-acridineamine FT-0083001 1acj [ Show all ]
Inchi Key	YLJREFDVOIBQDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
PubChem CID	1935
ChEMBL	CHEMBL95
IUPHAR	6687
BindingDB	8961
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
logKd	5.18 -	PMID20158205	ChEMBL
logKd	5.86 -	PMID20158205	ChEMBL

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