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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Histamine H1 receptor
Species	Cavia porcellus (Guinea pig)
Gene	HRH1
Synonym	H1R HH1R
Disease	N/A for non-human GPCRs
Length	488
Amino acid sequence	MSFLPGMTPVTLSNFSWALEDRMLEGNSTTTPTRQLMPLVVVLSSVSLVTVALNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGAVVMPMSILYLHRSAWILGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLRYLRYRTKTRASATILGAWLLSFLWVIPILGWHHFMAPTSEPREKKCETDFYDVTWFKVMTAIINFYLPTLLMLWFYIRIYKAVRRHCQHRQLINSSLPSFSEMKLKLENAKVDTRRMGKESPWEDPKRCSKDASGVHTPMPSSQHLVDMPCAAVLSEDEGGEVGTRQMPMLAVGDGRCCEALNHMHSQLELSGQSRATHSISARPEEWTVVDGQSFPITDSDTSTEAAPMGGQPRSGSNSGLDYIKFTWRRLRSHSRQYTSGLHLNRERKAAKQLGCIMAAFILCWIPYFVFFMVIAFCKSCSNEPVHMFTIWLGYLNSTLNPLIYPLCNENFRKTFKRILRIPP
UniProt	P31389
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	CHEMBL3943
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	triprolidine
Molecular formula	C19H22N2
IUPAC name	2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
Molecular weight	278.399
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.9
Synonyms	D08648 EINECS 207-627-0 Lopac0_001130 NCGC00024714-04 (E)-2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)pyridine Prestwick3_000262 2-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridine T 6764 Tripolidina ACTAHIST Triprolidine [INN:BAN] BIDD:GT0569 CAS-486-12-4 DB00427 HMS2089M21 MYFED NCGC00024714-07 1-((E)-3-Pyridin-2-yl-3-p-tolyl-allyl)-pyrrolidinium Pyridine, 2-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, (E)- 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine hydrochloride trans-1-(2-Pyridyl)-3-pyrrolidino-1-p-tolylprop-1-ene AB00053563-02 Actifed UNII-2L8T9S52QM BRD-K11742128-003-05-1 CCRIS 7212 CHEMBL855 DSSTox_RID_77161 KB-105517 NCGC00024714-02 NCI-C61450 2-(3-(pyrrolidin-1-yl)-1-p-tolylprop-1-enyl)pyridine SCHEMBL4905 486-12-4 TRILITRON AC1NR02Y Triprolidine Monohydrochloride AN-45232 BSPBio_002255 D0E8CI GTPL1228 LS-1293 NCGC00024714-05 (E)-2-1-(4-METHYLPHENYL)-3-(1-PYRROLIDINYL)-1-PROPENYL-PYRIDINE Pyridine, 2-((1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl)-, hydrochloride (1:1) 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylprop-1-enyl]pyridine chloride Tox21_110919 550-70-9 (mono-hydrochloride) Tripolidina [INN-Spanish] Actidil Triprolidinum BIM-0025383.P001 CBEQULMOCCWAQT-WOJGMQOQSA-N DSSTox_CID_3718 HSDB 6316 Myidil (TN) NCGC00024714-08 Pyridine, 2-(3-(1-pyrrolidinyl)-1-p-tolylpropenyl)-, (E)- 2-[(E)-1-(p-tolyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine trans-1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidinoprop-1-ene AB00053563-13 Triprolidine (INN) AKOS027460758 Venen (TN) BRD-K11742128-003-15-0 CHEBI:84116 CORPHED DTXSID3023718 L000901 NCGC00024714-03 (E)-2-(1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)pyridine Prestwick2_000262 2-(3-Pyrrolidin-1-yl-1-p-tolyl-propenyl)-pyridine Spectrum5_001467 486T124 TRIPHED ACM486124 Triprolidine Monohydrochloride, Monohydrate BDBM50292411 C19H22N2 Histafed MolPort-003-182-178 NCGC00024714-06 (E)-2-[3-(1-Pyrrolidinyl)-1-p-toluenepropenyl]pyridine Pyridine, 2-((1E)-1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-, monohydrochloride 2-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine Tox21_110919_1 6138-79-0 (mono-hydrochloride, mono-hydrate) Triprolidin Actidil (TN) Triprolidinum [INN-Latin] BPBio1_000116 CCG-12422 DSSTox_GSID_23718 IDI1_000297 Myidyl NCGC00024714-11 2-((E)-3-Pyrrolidin-1-yl-1-p-tolyl-propenyl)-pyridine SBI-0025383.P004 2L8T9S52QM trans-2-(3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)pyridine AB00053563_14 Triprolidine HCL ALLERFED ZINC12503099 BSPBio_000104 [ Show all ]
Inchi Key	CBEQULMOCCWAQT-WOJGMQOQSA-N
Inchi ID	InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+
PubChem CID	5282443
ChEMBL	CHEMBL855
IUPHAR	1228
BindingDB	50292411
DrugBank	DB00427
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
K0.5	0.46 nM	PMID10447948	ChEMBL
Kd	0.1259 nM	PMID7650688	ChEMBL
Kd	0.126 nM	PMID7650688	BindingDB
Ki	0.31 nM	PMID7925364	BindingDB
Ki	0.69 nM	PMID12065734	BindingDB
Ki	0.93 nM	PMID12065734	BindingDB
Ki	1.66 nM	PMID7650688	ChEMBL

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