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GLASS

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GPCR

Name	Histamine H3 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh3
Synonym	GPCR97 H3 receptor H3R HH3R
Disease	N/A for non-human GPCRs
Length	445
Amino acid sequence	MERAPPDGLMNASGTLAGEAAAAGGARGFSAAWTAVLAALMALLIVATVLGNALVMLAFVADSSLRTQNNFFLLNLAISDFLVGAFCIPLYVPYVLTGRWTFGRGLCKLWLVVDYLLCASSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVRKMALVWVLAFLLYGPAILSWEYLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFNLSIYLNIQRRTRLRLDGGREAGPEPPPDAQPSPPPAPPSCWGCWPKGHGEAMPLHRYGVGEAGPGVEAGEAALGGGSGGGAAASPTSSSGSSSRGTERPRSLKRGSKPSASSASLEKRMKMVSQSITQRFRLSRDKKVAKSLAIIVSIFGLCWAPYTLLMIIRAACHGRCIPDYWYETSFWLLWANSAVNPVLYPLCHYSFRRAFTKLLCPQKLKVQPHGSLEQCWK
UniProt	Q9QYN8
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	CHEMBL4124
IUPHAR	264
DrugBank	N/A

Ligand

Name	CIPRALISANT
Molecular formula	C14H20N2
IUPAC name	5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole
Molecular weight	216.328
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.3
Synonyms	LS-191791 5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole CVKJAXCQPFOAIN-VXGBXAGGSA-N ZINC3823435 213027-19-1 AC1O52EX GTPL1244 4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imidazole Cipralisant [INN] SCHEMBL7069804 (1R,2R)-4-(2-(5,5-Dimethylhex-1-ynyl)cyclopropyl)imidazole D0Q5YF 309713XSKW BDBM50074629 HY-106993 4-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-3H-imidazole CHEMBL278462 CS-0027076 UNII-309713XSKW GT-2331 4-((1R,2R)-2-(5,5-Dimethylhex-1-ynyl)cyclopropyl)-1H-imidazole BDBM50222968 [ Show all ]
Inchi Key	CVKJAXCQPFOAIN-VXGBXAGGSA-N
Inchi ID	InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
PubChem CID	6450823
ChEMBL	CHEMBL278462
IUPHAR	1244
BindingDB	50074629, 50222968
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	0.12 nM	PMID11055360	BindingDB
Ki	0.12 nM	PMID10072687, PMID11055360	BindingDB,ChEMBL
Ki	0.1259 nM	PMID10197963	ChEMBL
Ki	0.18 nM	PMID21062081	BindingDB,ChEMBL
Ki	0.194984 nM	PMID12657274	BindingDB
Ki	0.195 nM	PMID12657274	ChEMBL
Ki	0.316228 nM	PMID12393057	IUPHAR
pD2	8.5 -	PMID10197963	ChEMBL

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