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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	CHEMBL53234
Molecular formula	C23H17ClN6O
IUPAC name	1-(4-chlorophenyl)-3-(6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl)urea
Molecular weight	428.88
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	SCHEMBL9470437 BCHJQEZRVVANRY-UHFFFAOYSA-N 1-(4-Chloro-phenyl)-3-(6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulen-4-yl)-urea BDBM50023150 N-(4-Chlorophenyl)-N'-(6-phenyl-4H-[1,2,4]triazolo-[4,3-a][1,4]benzodiazepin-4-yl)urea
Inchi Key	BCHJQEZRVVANRY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H17ClN6O/c24-16-10-12-17(13-11-16)26-23(31)28-21-22-29-25-14-30(22)19-9-5-4-8-18(19)20(27-21)15-6-2-1-3-7-15/h1-14,21H,(H2,26,28,31)
PubChem CID	13953715
ChEMBL	CHEMBL53234
IUPHAR	N/A
BindingDB	50023150
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	380.0 nM	PMID3336017	BindingDB,ChEMBL

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