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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	CHEMBL283914
Molecular formula	C35H38Cl2N4O6
IUPAC name	(3S)-3-[[5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]amino]-4-(naphthalen-1-ylamino)-4-oxobutanoic acid
Molecular weight	681.611
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	5.9
Synonyms	BDBM50048788 (S)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-N-naphthalen-1-yl-succinamic acid
Inchi Key	AHQATBOIVCZNNN-XIJSCUBXSA-N
Inchi ID	InChI=1S/C35H38Cl2N4O6/c36-24-18-23(19-25(37)20-24)32(45)40-28(34(47)41-16-14-35(15-17-41)12-3-4-13-35)10-11-30(42)38-29(21-31(43)44)33(46)39-27-9-5-7-22-6-1-2-8-26(22)27/h1-2,5-9,18-20,28-29H,3-4,10-17,21H2,(H,38,42)(H,39,46)(H,40,45)(H,43,44)/t28?,29-/m0/s1
PubChem CID	44280131
ChEMBL	CHEMBL283914
IUPHAR	N/A
BindingDB	50048788
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	19.0 nM	PMID8568800	BindingDB,ChEMBL
IC50	215.0 nM	PMID8568800	BindingDB,ChEMBL

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