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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	CHEMBL285719
Molecular formula	C49H61N9O6
IUPAC name	[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[3-[4-[2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]acetyl]piperazin-1-yl]propyl]carbamate
Molecular weight	872.084
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	4.9
Synonyms	[3-(4-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylamino]-acetyl}-piperazin-1-yl)-propyl]-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 BDBM50287273
Inchi Key	UDDWANBKNNHWRB-DXQCBLCSSA-N
Inchi ID	InChI=1S/C49H61N9O6/c1-55-43-21-7-6-20-42(43)45(39-16-4-2-5-17-39)53-46(47(55)60)54-48(61)52-40-18-10-15-38(32-40)36-64-49(62)51-23-12-26-56-27-29-58(30-28-56)44(59)34-50-22-13-31-63-41-19-11-14-37(33-41)35-57-24-8-3-9-25-57/h2,4-7,10-11,14-21,32-33,46,50H,3,8-9,12-13,22-31,34-36H2,1H3,(H,51,62)(H2,52,54,61)/t46-/m0/s1
PubChem CID	44281204
ChEMBL	CHEMBL285719
IUPHAR	N/A
BindingDB	50287273
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	316.23 nM	Bioorg. Med. Chem. Lett., (1996) 6:13:1427	ChEMBL

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