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GLASS

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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	CHEMBL340413
Molecular formula	C21H27Cl2N3O4
IUPAC name	5-(8-azaspiro[4.5]decan-8-ylamino)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid
Molecular weight	456.364
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.2
Synonyms	BDBM50008172 4-(8-Aza-spiro[4.5]dec-8-ylcarbamoyl)-4-(3,5-dichloro-benzoylamino)-butyric acid
Inchi Key	COZGZMCLUAHPHG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27Cl2N3O4/c22-15-11-14(12-16(23)13-15)19(29)24-17(3-4-18(27)28)20(30)25-26-9-7-21(8-10-26)5-1-2-6-21/h11-13,17H,1-10H2,(H,24,29)(H,25,30)(H,27,28)
PubChem CID	44349069
ChEMBL	CHEMBL340413
IUPHAR	N/A
BindingDB	50008172
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	200.0 nM	PMID1732532	BindingDB,ChEMBL
Ratio	0.3 -	PMID1732532	ChEMBL

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