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GPCR

Name	Histamine H1 receptor
Species	Homo sapiens (Human)
Gene	HRH1
Synonym	HH1R H1R Hisr H1 receptor
Disease	Vertigo's disease; Meniere's disease Ocular allergy Obesity Nausea; Vomiting Insomnia; Anxiety disorder Insomnia Hypersensitivity reactions; Coughs; Common colds Pain Parkinson's disease Perennial and seasonal allergic rhinitis; Vasomotor rhinitis; Allergic conjunctivitis Vertigo meniere's disease Unspecified Sleep disorders Seasonal and perennial allergic rhinitis and vasomotor rhinitis Rhinitis; Urticaria; Allergy Rhinitis Respiratory disease Respiratory allergies; Cancer Respiratory allergies; Allergic rhinitis Pruritus Nasal congestion Hay fever; Cough Hay fever; Allergic rhinitis Anxiety disorder Anesthesia Allergy Allergic skin disorders Allergic rhinitis; Urticaria; Pruritus Allergic rhinitis; Urticaria Allergic rhinitis Allergic disorders; Itching; Nausea Allergic conjunctivitis Anxiety disorder; Morning sickness Asthma Hay fever Common cold; Allergies Depression Dry cough [ Show all ]
Length	487
Amino acid sequence	MSLPNSSCLLEDKMCEGNKTTMASPQLMPLVVVLSTICLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMNILYLLMSKWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLKYRTKTRASATILGAWFLSFLWVIPILGWNHFMQQTSVRREDKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINRSLPSFSEIKLRPENPKGDAKKPGKESPWEVLKRKPKDAGGGSVLKSPSQTPKEMKSPVVFSQEDDREVDKLYCFPLDIVHMQAAAEGSSRDYVAVNRSHGQLKTDEQGLNTHGASEISEDQMLGDSQSFSRTDSDTTTETAPGKGKLRSGSNTGLDYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFILCWIPYFIFFMVIAFCKNCCNEHLHMFTIWLGYINSTLNPLIYPLCNENFKKTFKRILHIRS
UniProt	P35367
Protein Data Bank	3rze
GPCR-HGmod model	P35367
3D structure model	This structure is from PDB ID 3rze.
BioLiP	BL0202178, BL0202179, BL0202180
Therapeutic Target Database	T77913
ChEMBL	CHEMBL231
IUPHAR	262
DrugBank	BE0000442

Ligand

Name	Dimebolin
Molecular formula	C21H25N3
IUPAC name	2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
Molecular weight	319.452
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.5
Synonyms	I14-14267 MLS006013366 RL03366 2,3,4,5-Tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole 2,8-Dimethyl-5-[2-(6-methyl-pyridin-3-yl)-ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole dimebolin AB1008440 BCP02189 CHEMBL589390 Dimeboline; Dimebone Latrepirdine NCGC00182554-02 UNII-OD9237K1Z6 2,8-Dimethyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 3613-73-8 AC1L52RH BDBM50305261 D09917 DTXSID20189705 HMS2200M23 LS-133645 Preparation 84 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)ethyl)- 2,8-dimethyl-5-[2-(6-methyl-3-pyridyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole 613D738 API0002380 CHEBI:92976 Dimebolin-Dihydrochloride J-520335 MolPort-009-019-583 SCHEMBL292354 2,3,4,5-Tetrahydro-2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrido[4,3-b]indole 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole ABP000981 BCP9000611 CTK8F9222 Dimebon Latrepirdine (USAN/INN) NCGC00182554-04 ZINC8144259 12687-54-6 2,8-Dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole # 4CA-0460 AKOS005146217 BRN 0622478 DB11725 EX-A1498 HMS3327A20 MLS002264475 PubChem24449 2,3,4,5-Tetrahydro-2,8-dimethyl-5-(2-(6-methyl-3-pyridyl)-ethyl)-1H-pyrid(4,3b)indole 2,8-Dimethyl-5-[2-(6-methyl-pyridin-3-yl)-ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole 9-(2-(2-Methyl-5-pyridyl)ethyl)-3,6-dimethyl-1,2,3,4-tetrahydro-.gamma.-carboline AS-35091 Dimeboline JNODQFNWMXFMEV-UHFFFAOYSA-N NCGC00182554-01 SMR001317776 2,3,4,5-Tetrahydro-2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-1H-pyrido[4,3-b]indole 20684-30-4 AC-5146 BCPP000257 D02YSX Dimebone Latrepirdine [USAN:INN] OD9237K1Z6 1721AH 2,8-dimethyl-5-[2-(6-methyl-3-pyridyl)ethyl]-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole AN-5218 C21H25N3 FT-0660444 [ Show all ]
Inchi Key	JNODQFNWMXFMEV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3
PubChem CID	197033
ChEMBL	CHEMBL589390
IUPHAR	N/A
BindingDB	50305261
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	158.0 nM	PMID19945877	BindingDB,ChEMBL
IC50	160.0 nM	PMID19443217	BindingDB,ChEMBL
IC50	1580.0 nM	PMID19945877, PMID19443217	BindingDB,ChEMBL

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