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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	CHEMBL105527
Molecular formula	C30H33N3O3
IUPAC name	1-[(2R)-1-(4-benzoylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-3-(3-methylphenyl)urea
Molecular weight	483.612
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.0
Synonyms	BDBM50286149 1-[(R)-1-(4-Benzoyl-piperidine-1-carbonyl)-3-phenyl-propyl]-3-m-tolyl-urea
Inchi Key	AZOSVFXKJSCQGZ-HHHXNRCGSA-N
Inchi ID	InChI=1S/C30H33N3O3/c1-22-9-8-14-26(21-22)31-30(36)32-27(16-15-23-10-4-2-5-11-23)29(35)33-19-17-25(18-20-33)28(34)24-12-6-3-7-13-24/h2-14,21,25,27H,15-20H2,1H3,(H2,31,32,36)/t27-/m1/s1
PubChem CID	44334434
ChEMBL	CHEMBL105527
IUPHAR	N/A
BindingDB	50286149
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	3900.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:24:3057	BindingDB,ChEMBL

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