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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	CHEMBL115656
Molecular formula	C31H38N4O2
IUPAC name	N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
Molecular weight	498.671
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	6.7
Synonyms	(R)-2-(3-Quinolinylcarbonylamino)-3-(1H-indol-3-yl)-N,N-dipentylpropanamide BDBM50008640 (R)-Quinoline-3-carboxylic acid [1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
Inchi Key	BHLFQSQXXBNXJD-GDLZYMKVSA-N
Inchi ID	InChI=1S/C31H38N4O2/c1-3-5-11-17-35(18-12-6-4-2)31(37)29(20-24-21-33-28-16-10-8-14-26(24)28)34-30(36)25-19-23-13-7-9-15-27(23)32-22-25/h7-10,13-16,19,21-22,29,33H,3-6,11-12,17-18,20H2,1-2H3,(H,34,36)/t29-/m1/s1
PubChem CID	15104594
ChEMBL	CHEMBL115656
IUPHAR	N/A
BindingDB	50008640
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	12000.0 nM	PMID1766000	BindingDB,ChEMBL

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