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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	CHEMBL325161
Molecular formula	C31H28N4O4
IUPAC name	ethyl (2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-(quinoline-3-carbonylamino)propanoyl]amino]-2-phenylacetate
Molecular weight	520.589
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.9
Synonyms	{3-(1H-Indol-3-yl)-2-[(quinoline-3-carbonyl)-amino]-propionylamino}-phenyl-acetic acid ethyl ester (R)-2-[(R)-3-(1H-Indol-3-yl)-2-(3-quinolinylcarbonylamino)propanoylamino]-2-phenylacetic acid ethyl ester BDBM50008630
Inchi Key	BNTFCCSMRNSBKQ-VSGBNLITSA-N
Inchi ID	InChI=1S/C31H28N4O4/c1-2-39-31(38)28(20-10-4-3-5-11-20)35-30(37)27(17-22-18-33-26-15-9-7-13-24(22)26)34-29(36)23-16-21-12-6-8-14-25(21)32-19-23/h3-16,18-19,27-28,33H,2,17H2,1H3,(H,34,36)(H,35,37)/t27-,28-/m1/s1
PubChem CID	15104632
ChEMBL	CHEMBL325161
IUPHAR	N/A
BindingDB	50008630
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID1766000	BindingDB,ChEMBL

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