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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	CHEMBL97133
Molecular formula	C34H42N4O3
IUPAC name	N-tert-butyl-2-[(3R,5S,7R)-5-(2-ethylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetamide
Molecular weight	554.735
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	5.7
Synonyms	BDBM50283822 N-tert-Butyl-2-[(3R,5S,7R)-5-(2-ethyl-phenyl)-2-oxo-7-phenyl-3-(3-m-tolyl-ureido)-azepan-1-yl]-acetamide
Inchi Key	AKHKIVGBTDKSGG-NPBSGPTKSA-N
Inchi ID	InChI=1S/C34H42N4O3/c1-6-24-14-10-11-18-28(24)26-20-29(36-33(41)35-27-17-12-13-23(2)19-27)32(40)38(22-31(39)37-34(3,4)5)30(21-26)25-15-8-7-9-16-25/h7-19,26,29-30H,6,20-22H2,1-5H3,(H,37,39)(H2,35,36,41)/t26-,29+,30+/m0/s1
PubChem CID	44329055
ChEMBL	CHEMBL97133
IUPHAR	N/A
BindingDB	50283822
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	25.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:24:2877	BindingDB,ChEMBL

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