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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 H2 receptor
Species	Rattus norvegicus (Rat)
Gene	Hrh2
Synonym	gastric receptor I H2 receptor H2R HH2R
Disease	N/A for non-human GPCRs
Length	358
Amino acid sequence	MEPNGTVHSCCLDSMALKVTISVVLTTLILITIAGNVVVCLAVSLNRRLRSLTNCFIVSLAATDLLLGLLVLPFSAIYQLSFTWSFGHVFCNIYTSLDVMLCTASILNLFMISLDRYCAVTDPLRYPVLVTPVRVAISLVFIWVISITLSFLSIHLGWNSRNGTRGGNDTFKCKVQVNEVYGLVDGLVTFYLPLLIMCVTYYRIFKIAREQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEAVEGIVLWLGYANSALNPILYAALNRDFRTAYQQLFHCKFASHNSHKTSLRLNNSLLPRSQSREGRWQEEKPLKLQVWSGTELTHPQGNPIR
UniProt	P25102
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	CHEMBL4654
IUPHAR	263
DrugBank	N/A

Ligand

Name	CHEMBL33398
Molecular formula	C45H52N8O7
IUPAC name	[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[2-[[3-oxo-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]propanoyl]amino]ethyl]carbamate
Molecular weight	816.96
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	4.4
Synonyms	(2-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-acetylamino}-ethyl)-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester BDBM50287263
Inchi Key	PUMYZJXXNPHQSD-WBCKFURZSA-N
Inchi ID	InChI=1S/C45H52N8O7/c1-52-38-20-7-6-19-37(38)41(34-15-4-2-5-16-34)50-42(43(52)56)51-44(57)49-35-17-10-14-33(27-35)31-60-45(58)48-23-22-47-40(55)29-39(54)46-21-12-26-59-36-18-11-13-32(28-36)30-53-24-8-3-9-25-53/h2,4-7,10-11,13-20,27-28,42H,3,8-9,12,21-26,29-31H2,1H3,(H,46,54)(H,47,55)(H,48,58)(H2,49,51,57)/t42-/m0/s1
PubChem CID	44281292
ChEMBL	CHEMBL33398
IUPHAR	N/A
BindingDB	50287263
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	158.49 nM	Bioorg. Med. Chem. Lett., (1996) 6:13:1427	ChEMBL

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