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GLASS

You can:

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	CHEMBL555593
Molecular formula	C30H33F2NO4
IUPAC name	ethyl 4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzoate
Molecular weight	509.594
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.8
Synonyms	4-(3-{4-[Bis-(4-fluoro-phenyl)-hydroxy-methyl]-piperidin-1-yl}-propoxy)-benzoic acid ethyl ester; hydrochloride BDBM50017373 4-[3-[4-[bis(4-fluorophenyl)hydroxymethyl]-1-piperidinyl]propoxy]benzoic acid ethyl ester BLZCKCKQDXOKBR-UHFFFAOYSA-N SCHEMBL10460337 CHEMBL1195925 [ Show all ]
Inchi Key	BLZCKCKQDXOKBR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H33F2NO4/c1-2-36-29(34)22-4-14-28(15-5-22)37-21-3-18-33-19-16-25(17-20-33)30(35,23-6-10-26(31)11-7-23)24-8-12-27(32)13-9-24/h4-15,25,35H,2-3,16-21H2,1H3
PubChem CID	14407102
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50017373
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	956.0 nM	PMID2562852	BindingDB

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