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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	Gastrin/cholecystokinin type B receptor
Species	Mus musculus (Mouse)
Gene	Cckbr
Synonym	CHOLREC Cholecystokinin-2 receptor CCK2-R CCK2 receptor CCK-BR CCK-B/gastrin receptor CCK-B receptor gastrin/cholecystokinin type B receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	453
Amino acid sequence	MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P56481
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	CHEMBL2854
IUPHAR	77
DrugBank	N/A

Ligand

Name	CHEMBL9083
Molecular formula	C24H21N7O2
IUPAC name	1-(3-cyanophenyl)-3-[[3-[3-(dimethylamino)phenyl]-4-oxoquinazolin-2-yl]amino]urea
Molecular weight	439.479
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.0
Synonyms	N-(3-benzonitrile)-2-[3,4-dihydro-3-[(3-amino)phenyl]-4-oxo-2-quinazolinyl]hydrazinecarboxamide 3-[[2-[[3,4-Dihydro-3-[3-(dimethylamino)phenyl]-4-oxoquinazoline]-2-yl]hydrazino]carbonylamino]benzonitrile BDBM50063649
Inchi Key	AJMRNBSGTOOMHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H21N7O2/c1-30(2)18-9-6-10-19(14-18)31-22(32)20-11-3-4-12-21(20)27-23(31)28-29-24(33)26-17-8-5-7-16(13-17)15-25/h3-14H,1-2H3,(H,27,28)(H2,26,29,33)
PubChem CID	10094721
ChEMBL	CHEMBL9083
IUPHAR	N/A
BindingDB	50063649
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	14.0 nM	PMID9544204	BindingDB,ChEMBL

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