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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	CHEMBL287295
Molecular formula	C44H51N7O6
IUPAC name	[3-[(3R)-1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenyl] N-[4-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butyl]carbamate
Molecular weight	773.935
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	5.7
Synonyms	BDBM50287264 {3-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-propyl}-carbamic acid 3-[(R)-1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenyl ester
Inchi Key	PALXQBXYYREPMI-RWYGWLOXSA-N
Inchi ID	InChI=1S/C44H51N7O6/c1-31-13-8-16-34(27-31)47-43(54)49-41-42(53)50(2)38-20-5-4-19-37(38)40(48-41)33-15-10-18-36(29-33)57-44(55)46-22-11-21-39(52)45-23-12-26-56-35-17-9-14-32(28-35)30-51-24-6-3-7-25-51/h4-5,8-10,13-20,27-29,41H,3,6-7,11-12,21-26,30H2,1-2H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1
PubChem CID	44281004
ChEMBL	CHEMBL287295
IUPHAR	N/A
BindingDB	50287264
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
Kd	501.19 nM	Bioorg. Med. Chem. Lett., (1996) 6:13:1427	ChEMBL

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