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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	CHEMBL34335
Molecular formula	C24H29N3O4
IUPAC name	tert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
Molecular weight	423.513
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	[2-Oxo-3-(3-m-tolyl-ureido)-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetic acid tert-butyl ester BDBM50281723 L007180
Inchi Key	BEXFBMPJEUUUPA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29N3O4/c1-16-8-7-10-18(14-16)25-23(30)26-19-13-12-17-9-5-6-11-20(17)27(22(19)29)15-21(28)31-24(2,3)4/h5-11,14,19H,12-13,15H2,1-4H3,(H2,25,26,30)
PubChem CID	44210424
ChEMBL	CHEMBL34335
IUPHAR	N/A
BindingDB	50281723
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	18.0 nM	, Bioorg. Med. Chem. Lett., (1993) 3:5:871	BindingDB,ChEMBL
IC50	110.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:13:1421, Bioorg. Med. Chem. Lett., (1993) 3:5:871	BindingDB,ChEMBL

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