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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	CHEMBL36634
Molecular formula	C27H24BrN3O
IUPAC name	2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one
Molecular weight	486.413
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.3
Synonyms	2-[2-(5-Bromo-1H-indol-3-yl)-propyl]-3-(3-ethyl-phenyl)-3H-quinazolin-4-one BDBM50011952 L006001 2-[2-(5-Bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4(3H)-one
Inchi Key	CFYXMCWBLUMMPL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H24BrN3O/c1-3-18-7-6-8-20(14-18)31-26(30-25-10-5-4-9-21(25)27(31)32)13-17(2)23-16-29-24-12-11-19(28)15-22(23)24/h4-12,14-17,29H,3,13H2,1-2H3
PubChem CID	14843042
ChEMBL	CHEMBL36634
IUPHAR	N/A
BindingDB	50011952
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1600.0 nM	PMID2016728	BindingDB,ChEMBL

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