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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	ACRIVASTINE
Molecular formula	C22H24N2O2
IUPAC name	(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid
Molecular weight	348.446
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.6
Synonyms	Acrivastina [Spanish] AN-15417 BW 825C DSSTox_GSID_22555 LS-178016 SMR004701250 (E)-3-[6-[(E)-1-(p-tolyl)-3-pyrrolidin-1-yl-prop-1-enyl]-2-pyridyl]prop-2-enoic acid 848A995 Acrivastine [USAN:INN:BAN] BCP06189 BW270C D02760 E-(9CI) NCGC00182053-02 Tox21_113015 ( E,E )-3-[6-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-2-pyridinyl]-2-propenoic acid (E)-6-((E)-3-(1-Pyrrolidinyl-1-p-tolylpropenyl)-2-pyridinacrylsaeure AC-912 Acrivastin Acrivastinum [Latin] BIDD:GT0209 CAS-87848-99-5 DB09488 KM2560 SCHEMBL4702 (2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid 3-{6-[1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid AS-14623 BW A825C CHEMBL1224 DSSTox_RID_76625 MLS006010115 SR-01000942220 (E)-3-{6-[3-pyrrolidino-1-(4-tolyl)prop-1E-enyl]-2-pyridyl}acrylic acid 87848-99-5 AC1NR4LM Acrivastine, >=98% (HPLC) Benadryl allergy relief BW825C D0O4EU HY-B1510 PWACSDKDOHSSQD-IUTFFREVSA-N UNII-A20F9XAI7W (2E)-3-[6-[(1E)-1-(4-Methylphenyl)-3-(1-pyrrolidinyl)-1-propen-1-yl]-2-pyridinyl]-2-propenoic acid (E,E)-3-[6-[1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl]-2-pyridinyl]-2-propenoic acid Acrivastina AKOS005067182 BW 0270C CHEBI:83168 DSSTox_CID_2555 L917 Semprex (E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid 54338-EP2308562A2 Acrivastine (USAN/INN) BC224208 BW-825C CS-6454 DTXSID6022555 MolPort-005-942-272 SR-01000942220-1 (E)-6-((E)-3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)-2-pyridineacrylic acid A20F9XAI7W AC1Q5T9P Acrivastinum BG0518 C22H24N2O2 I14-8671 Q-200590 ZINC3776633 (2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}acrylic acid 2-Propenoic acid, 3-(6-(1-(4-methylphenyl)-3-(1-pyrrolidinyl)-1-propenyl)-2-pyridinyl)-, (E,E)- [ Show all ]
Inchi Key	PWACSDKDOHSSQD-IUTFFREVSA-N
Inchi ID	InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
PubChem CID	5284514
ChEMBL	CHEMBL1224
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB09488
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Emax	100.0 %	Med Chem Res, (2009) 18:3:187	ChEMBL
IC50	6120.0 nM	Med Chem Res, (2009) 18:3:187	ChEMBL
Inhibition	16.6 %	Med Chem Res, (2009) 18:3:187	ChEMBL
Inhibition	60.0 %	Med Chem Res, (2009) 18:3:187	ChEMBL
Inhibition	100.0 %	Med Chem Res, (2009) 18:3:187	ChEMBL

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