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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	CHEMBL215415
Molecular formula	C18H18ClN5O3S2
IUPAC name	N-[5-chloro-2-(4-methylpiperazine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
Molecular weight	451.944
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.8
Synonyms	1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4-chlorobenzoyl]-4-methylpiperazine BDBM50196189
Inchi Key	DKUHWLNSNGEXFN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClN5O3S2/c1-23-7-9-24(10-8-23)18(25)13-6-5-12(19)11-15(13)22-29(26,27)16-4-2-3-14-17(16)21-28-20-14/h2-6,11,22H,7-10H2,1H3
PubChem CID	16090650
ChEMBL	CHEMBL215415
IUPHAR	N/A
BindingDB	50196189
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2511.89 nM	PMID17034143	ChEMBL

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