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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	CHEMBL285719
Molecular formula	C49H61N9O6
IUPAC name	[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[3-[4-[2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]acetyl]piperazin-1-yl]propyl]carbamate
Molecular weight	872.084
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	4.9
Synonyms	[3-(4-{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylamino]-acetyl}-piperazin-1-yl)-propyl]-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester BDBM50287273
Inchi Key	UDDWANBKNNHWRB-DXQCBLCSSA-N
Inchi ID	InChI=1S/C49H61N9O6/c1-55-43-21-7-6-20-42(43)45(39-16-4-2-5-17-39)53-46(47(55)60)54-48(61)52-40-18-10-15-38(32-40)36-64-49(62)51-23-12-26-56-27-29-58(30-28-56)44(59)34-50-22-13-31-63-41-19-11-14-37(33-41)35-57-24-8-3-9-25-57/h2,4-7,10-11,14-21,32-33,46,50H,3,8-9,12-13,22-31,34-36H2,1H3,(H,51,62)(H2,52,54,61)/t46-/m0/s1
PubChem CID	44281204
ChEMBL	CHEMBL285719
IUPHAR	N/A
BindingDB	50287273
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	9.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:13:1427	BindingDB,ChEMBL

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