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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL114774
Molecular formula	C41H54N6O7
IUPAC name	4-[[(2S)-2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexyl]amino]-4-oxobutanoic acid
Molecular weight	742.918
Hydrogen bond acceptor	7
Hydrogen bond donor	7
XlogP	4.9
Synonyms	BDBM50422042
Inchi Key	DILLUBXISCIMIT-YRZYFPLTSA-N
Inchi ID	InChI=1S/C41H54N6O7/c1-25-9-3-5-12-33(25)46-39(52)42-16-8-7-10-31(24-44-35(48)14-15-36(49)50)45-38(51)41(2,22-30-23-43-34-13-6-4-11-32(30)34)47-40(53)54-37-28-18-26-17-27(20-28)21-29(37)19-26/h3-6,9,11-13,23,26-29,31,37,43H,7-8,10,14-22,24H2,1-2H3,(H,44,48)(H,45,51)(H,47,53)(H,49,50)(H2,42,46,52)/t26?,27?,28?,29?,31-,37?,41-/m0/s1
PubChem CID	10350069
ChEMBL	CHEMBL114774
IUPHAR	N/A
BindingDB	50422042
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7079.0 nM	PMID7650691	BindingDB
IC50	7079.46 nM	PMID7650691	ChEMBL

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