Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●D-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 M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

Ligand

Name	cinnarizine
Molecular formula	C26H28N2
IUPAC name	1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine
Molecular weight	368.524
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.8
Synonyms	STK216257 Stutgin W-110442 R-516 Sepan EU-0100314 1412-EP2305219A1 HMS2234B20 7002-58-6 (di-hydrochloride) KS-5155 Apotomin Marisan BSPBio_000156 MLS002222167 Cero-Aterin NCGC00018187-07 Cinarizina [INN-Spanish] Olamin Cinnarizine [USAN:INN:BAN:JAN] Corathiem 1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine Dimitronal 1-Cinnamyl-4-(diphenylmethyl)piperazine Stugeron (TN) Tox21_110109_1 Processine SC-14096 Spaderizine Glanil 298C577 HY-B1090 AKOS002134299 Lazeta BDBM50017657 Midronal Carecin NCGC00015246-02 NCGC00021488-04 Cinnacet Piperazine, 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)- Cinnarizine-d8 (E)-1-Benzhydryl-4-cinnamylpiperazine D0Q3YO 1-Benzhydryl-4-cinnamylpiperazine DSSTox_RID_76744 1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine SR-01000003093-6 Stunarone (TN) Votegol R 516 Sedatromin 1412-EP2298764A1 HMS1568H18 J10228 Aplactan LP00314 BRD-K74927006-001-01-2 MLS001148649 Cerebolan NCGC00018187-05 Cinaperazine NSC-290687 Cinnarizine (JAN/USAN/INN) Cinnarizinum [INN-Latin] 1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazine DERZBLKQOCDDDZ-JLHYYAGUSA-N 1-benzhydryl-4-[(E)-cinnamyl]piperazine Eglen Stonoron Toliman Zepamol Prestwick3_000278 S4727 Siptazin Folcodal 16699-20-0 HMS3260P10 A820077 L001227 ARONIS27007 MD 516 C 5270 MolPort-002-056-760 CHEBI:131176 NCGC00018187-09 Cinarizine Opera_ID_1776 Cinnarizine, European Pharmacopoeia (EP) Reference Standard CS-4656 1-(diphenylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine DSSTox_CID_2821 1-Cinnamyl-4-diphenylmethylpiperazine Stugeron\|Dimitronal\|Stutgin\|Cinarizine Tox21_500314 QTL1_000023 SCHEMBL44957 SR-01000003093 1412-EP2275420A1 GTPL9072 3DI2E1X18L I01-3582 AN-25314 Libotasin BPBio1_000172 Mitronal CAS-298-57-7 NCGC00018187-03 CHEMBL43064 NCGC00021488-05 Cinnageron Piperazine, 1-cinnamyl-4-(diphenylmethyl)- Cinnarizine; 1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)-piperazine 1-(Diphenylmethyl)-4-(3-phenyl-2-propen-1-yl)piperazine 1-benzhydryl-4-[(2E)-3-phenylprop-2-enyl]piperazine DTXSID3022821 ST069378 Stutgeron W-106970 R-1575 Senoger 1412-EP2298765A1 HMS2095H18 516 MD Katoseran Aplexal LS-111394 BRN 0626121 MLS002207295 Cerepar NCGC00018187-06 Cinarizina NSC290687 Cinnarizine Stugeron component of Emesazine (Salt/Mix) 1-(diphenylmethyl)-4-(3-phenylprop-2-en-1-yl)piperazine Dimitron 1-Benzhydryl-4-[3-phenyl-2-propenyl]piperazine # EINECS 206-064-8 Stugeron Tox21_110109 ZINC19632891 Prestwick_115 SBB057016 SMR000058307 Giganten 298-57-7 HMS3712H18 AC1LU5GC Labyrin Artate MFCD00056037 C26H28N2 N-Benzhydryl-N'-cinnamylpiperazine CHEBI:31403 NCGC00021488-03 Cinazyn Piperazine, (E)- Cinnarizine, powder D01295 1-Benzhydryl-4-cinnamylpiperazin DSSTox_GSID_22821 1-trans-Cinnamyl-4-diphenylmethylpiperazine SR-01000003093-2 Stunarone UNII-3DI2E1X18L R 1575 SCHEMBL44958 1412-EP2280008A2 Hilactan 4-((2E)-3-phenylprop-2-enyl)-1-(diphenylmethyl)piperazine Ixertol AOB5321 Lopac0_000314 BRD-K07220430-001-03-6 MLS000028498 CCG-204409 NCGC00018187-04 cid_1547484 NCGC00260999-01 Prestwick2_000278 Cinnarizinum 1-(diphenylmethyl)-4-(3-phenyl-2-propenyl)-piperazine Denapol 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine EBD32904 [ Show all ]
Inchi Key	DERZBLKQOCDDDZ-JLHYYAGUSA-N
Inchi ID	InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+
PubChem CID	1547484
ChEMBL	CHEMBL43064
IUPHAR	N/A
BindingDB	50017657
DrugBank	DB00568
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	759.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	545.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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