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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Gastrin/cholecystokinin type B receptor
Species	Homo sapiens (Human)
Gene	CCKBR
Synonym	CCK-B receptor CCK-B receptor {ECO:0000303\|PubMed:8415658} CCK-B/gastrin receptor CCK-BR gastrin/cholecystokinin type B receptor CCK2 receptor CCK2-R CHOLREC Cholecystokinin-2 receptor {ECO:0000303\|PubMed:11926817} cholecystokinin-2 receptor [ Show all ]
Disease	Diagnostic imaging Duodenal ulcers Gastroesophageal reflux disease Gastrointestinal disease Intestine cancer Medullary thyroid cancer Stomach disease Stomach ulcer Type 1 diabetes Ulcerative colitis Unspecified Anxiety disorder Caerulein stimulated gastric and pancreatic secretion Cancer [ Show all ]
Length	447
Amino acid sequence	MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P32239
Protein Data Bank	N/A
GPCR-HGmod model	P32239
3D structure model	This predicted structure model is from GPCR-EXP P32239.
BioLiP	N/A
Therapeutic Target Database	T05849
ChEMBL	CHEMBL298
IUPHAR	77
DrugBank	BE0001158

Ligand

Name	CHEMBL101803
Molecular formula	C26H33N3O3
IUPAC name	1-[(2R)-1-(4-benzoylpiperidin-1-yl)-1-oxohexan-2-yl]-3-(3-methylphenyl)urea
Molecular weight	435.568
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.5
Synonyms	1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-pentyl]-3-m-tolyl-urea BDBM50286173
Inchi Key	ASLCFRWVLZGOAR-HSZRJFAPSA-N
Inchi ID	InChI=1S/C26H33N3O3/c1-3-4-13-23(28-26(32)27-22-12-8-9-19(2)18-22)25(31)29-16-14-21(15-17-29)24(30)20-10-6-5-7-11-20/h5-12,18,21,23H,3-4,13-17H2,1-2H3,(H2,27,28,32)/t23-/m1/s1
PubChem CID	44334259
ChEMBL	CHEMBL101803
IUPHAR	N/A
BindingDB	50286173
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	4800.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:24:3057	BindingDB,ChEMBL

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