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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	CHEMBL58154
Molecular formula	C38H41N5O6S
IUPAC name	3-[[(3R,5R)-1-[2-(tert-butylamino)-2-oxoethyl]-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoylamino]-N-(2-methylphenyl)sulfonylbenzamide
Molecular weight	695.835
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	5.4
Synonyms	N-tert-Butyl-2-((3R,5R)-8-methyl-2-oxo-5-phenyl-3-{3-[3-(toluene-2-sulfonylaminocarbonyl)-phenyl]-ureido}-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide BDBM50285006
Inchi Key	CSNNJXSLJWKSCD-FIRIVFDPSA-N
Inchi ID	InChI=1S/C38H41N5O6S/c1-24-18-19-29-30(26-13-7-6-8-14-26)22-31(36(46)43(32(29)20-24)23-34(44)41-38(3,4)5)40-37(47)39-28-16-11-15-27(21-28)35(45)42-50(48,49)33-17-10-9-12-25(33)2/h6-21,30-31H,22-23H2,1-5H3,(H,41,44)(H,42,45)(H2,39,40,47)/t30-,31-/m1/s1
PubChem CID	44301036
ChEMBL	CHEMBL58154
IUPHAR	N/A
BindingDB	50285006
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
IC50	7.9 nM	, Bioorg. Med. Chem. Lett., (1995) 5:17:1933	BindingDB,ChEMBL

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