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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	4490-74-8
Molecular formula	C12H13NO3
IUPAC name	2-(1-hydroxy-2-methylpropan-2-yl)isoindole-1,3-dione
Molecular weight	219.24
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.2
Synonyms	2-(1-hydroxy-2methylprop-2-yl)isoindole-1,3-dione DA-05769 ZINC348497 AC1LGVP1 MCULE-7732278236 1H-Isoindole-1,3(2H)-dione,2-(2-hydroxy-1,1-dimethylethyl)- 2-(1-hydroxy-2-methylpropan-2-yl)isoindole-1,3-dione Oprea1_416521 2-(2-hydroxy-1,1-dimethyl-ethyl)-isoindole-1,3-dione EN300-74509 AKOS003594849 MolPort-005-981-250 2-(1-hydroxy-2-methylpropan-2-yl)-1H-isoindole-1,3(2H)-dione 2-(1-hydroxy-2-methylpropan-2-yl)isoindoline-1,3-dione CHEMBL2262486 SCHEMBL534520 FT-0711844 1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxy-1,1-dimethylethyl)- 2-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione BVOZNWIHPNVREJ-UHFFFAOYSA-N NE48207 [ Show all ]
Inchi Key	BVOZNWIHPNVREJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H13NO3/c1-12(2,7-14)13-10(15)8-5-3-4-6-9(8)11(13)16/h3-6,14H,7H2,1-2H3
PubChem CID	827789
ChEMBL	CHEMBL2262486
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Emax	0.0 %	Med Chem Res, (2009) 18:3:187	ChEMBL
Inhibition	0.0 %	Med Chem Res, (2009) 18:3:187	ChEMBL

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