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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.
Go to the GPCR page and check other ligands which interact with it.
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	BRN 0418992
Molecular formula	C19H24N2O
IUPAC name	9-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydro-1H-carbazol-4-one
Molecular weight	296.414
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.1
Synonyms	9-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydro-1H-carbazol-4-one 2,3-Dihydro-9-methyl-3-(piperidino)methyl-4(1H)-carbazolone CTK1C4430 4(1H)-CARBAZOLONE, 2,3-DIHYDRO-9-METHYL-3-(PIPERIDINO)METHYL- AC1L1Z9K 2,3-Dihydro-9-methyl-3-(piperidinomethyl)-9H-carbazol-4(1H)-one LS-51873 9-Methyl-3-(1-piperidinomethyl)-2,3-dihydro-4(1H)-carbazolone AKOS030561880 CHEMBL161823 38942-84-6 [ Show all ]
Inchi Key	BAFLVTLGUUJFPM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2O/c1-20-16-8-4-3-7-15(16)18-17(20)10-9-14(19(18)22)13-21-11-5-2-6-12-21/h3-4,7-8,14H,2,5-6,9-13H2,1H3
PubChem CID	38187
ChEMBL	CHEMBL161823
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
pKB	5.69 -	Bioorg. Med. Chem. Lett., (1995) 5:7:667	ChEMBL

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