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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	CHEMBL103312
Molecular formula	C30H32N4O5
IUPAC name	[(2R)-3-(4-benzoylpiperidin-1-yl)-2-[(3-methylphenyl)carbamoylamino]-3-oxopropyl] N-phenylcarbamate
Molecular weight	528.609
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.0
Synonyms	BDBM50286158 Phenyl-carbamic acid (R)-3-(4-benzoyl-piperidin-1-yl)-3-oxo-2-(3-m-tolyl-ureido)-propyl ester
Inchi Key	BYSPJTKARHNTCE-AREMUKBSSA-N
Inchi ID	InChI=1S/C30H32N4O5/c1-21-9-8-14-25(19-21)31-29(37)33-26(20-39-30(38)32-24-12-6-3-7-13-24)28(36)34-17-15-23(16-18-34)27(35)22-10-4-2-5-11-22/h2-14,19,23,26H,15-18,20H2,1H3,(H,32,38)(H2,31,33,37)/t26-/m1/s1
PubChem CID	44334248
ChEMBL	CHEMBL103312
IUPHAR	N/A
BindingDB	50286158
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	120.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:24:3057	BindingDB,ChEMBL

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