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	sulconazole
Molecular formula	C18H15Cl3N2S
IUPAC name	1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Molecular weight	397.742
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.1
Synonyms	KBio2_001896 NINDS_000220 SPBio_002600 ( -)-1-(2,4-dichloro-beta-((p-chlorobenzyl)thio)phenethyl)imidazole 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole AB00053607_17 BDBM31770 C18H15Cl3N2S DB06820 Exelderm KBio3_002453 Prestwick2_000810 Spectrum4_000436 Sulconazolum 1-(2-((4-Chlorobenzyl)thio)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)-, (+-)- AC1L1K35 BRD-A70649075-008-17-5 KB-212468 LS-176163 SCHEMBL34761 Sulconazol 1-[2,4-dichloro-beta-(4-chlorobenzylthio)phenethyl]imidazole AB00053607 API0004256 C-21661 D08535 KBio2_004464 Prestwick0_000810 Spectrum2_001422 Sulconazole (INN) (+-)-1-(2,4-Dichlor-beta-((4-chlorbenzyl)thio)phenethyl)imidazol 1-[beta-[(4-Chlorobenzyl)thio]-2,4-dichlorophenethyl]-1H-imidazole AB0010744 BPBio1_000747 CC-34587 DivK1c_000220 FT-0630725 KBioGR_000792 Prestwick3_000810 Spectrum5_001155 Sulconazolum [INN-Latin] 1-(2-(4-chlorobenzylthio)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole 1H-Imidazole, 1-[2-[[(4-chlorophenyl)methyl]thio]-2-(2,4-dichlorophenyl)ethyl]- AFNXATANNDIXLG-UHFFFAOYSA-N BSPBio_000679 CHEMBL1221 KBio1_000220 NCGC00018250-02 SPBio_001524 Sulconazol [INN-Spanish] ( -)-1-(2,4-Dichlor-beta-((4-chlorbenzyl)thio)phenethyl)imidazol 1-[2-(4-Chloro-benzylsulfanyl)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole AB00053607_16 AX8152129 C08076 D0X8XA KBio2_007032 Prestwick1_000810 Spectrum3_001457 Sulconazole [INN:BAN] (+-)-1-(2,4-dichloro-beta-((p-chlorobenzyl)thio)phenethyl)imidazole 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole AC-13116 BRD-A70649075-008-05-0 CHEBI:77776 DTXSID8044129 IDI1_000220 KBioSS_001896 SBI-0051660.P002 Spectrum_001416 Sulcosyn 1-(beta-(4''-chlorobenzylthio)-2'4'-dichlorophenethyl)imidazole 61318-90-9 AKOS015961204 BSPBio_002953 cid_65495 [ Show all ]
Inchi Key	AFNXATANNDIXLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
PubChem CID	5318
ChEMBL	CHEMBL1221
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
IC50	3675.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	885.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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