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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	Bos taurus (Bovine)
Gene	HRH1
Synonym	H1R HH1R
Disease	N/A for non-human GPCRs
Length	491
Amino acid sequence	MTCPNSSCVFEDKMCQGNKTAPANDAQLTPLVVVLSTISLVTVGLNLLVLYAVRSERKLHTVGNLYIVSLSVADLIVGVVVMPMNILYLLMSRWSLGRPLCLFWLSMDYVASTASIFSVFILCIDRYRSVQQPLKYLRYRTKTRASITILAAWFLSFLWIIPILGWRHFQPKTPEPREDKCETDFYNVTWFKVMTAIINFYLPTLLMLWFYAKIYKAVRQHCQHRELINGSFPSFSDMKMKPENLQVGAKKPGKESPWEVLKRKPKDTGGGPVLKPPSQEPKEVTSPGVFSQEKEEKDGELGKFYCFPLDTVQAQPEAEGSGRGYATINQSQNQLEMGEQGLSMPGAKEALEDQILGDSQSFSRTDSDTPAEPAPAKGKSRSESSTGLEYIKFTWKRLRSHSRQYVSGLHMNRERKAAKQLGFIMAAFIICWIPYFIFFMVIAFCESCCNQHVHMFTIWLGYINSTLNPLIYPLCNENFKKTFKKILHIRS
UniProt	P30546
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	CHEMBL3573
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL81649
Molecular formula	C21H27N3O3S
IUPAC name	4-[4-[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
Molecular weight	401.525
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.2
Synonyms	BDBM50051563 SCHEMBL7397229 (+)-U-101387 WNUQCGWXPNGORO-OAQYLSRUSA-N (R)-(+)-4-[4-[2-(Isochroman-1-yl)ethyl]piperazin-1-yl]benzenesulfonamide B7607 ZINC5162669 4-[4-((R)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]-benzenesulfonamide [ Show all ]
Inchi Key	WNUQCGWXPNGORO-OAQYLSRUSA-N
Inchi ID	InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m1/s1
PubChem CID	10811059
ChEMBL	CHEMBL81649
IUPHAR	N/A
BindingDB	50051563
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	7430.0 nM	PMID8968364	BindingDB

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