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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	CHEMBL112054
Molecular formula	C26H36N4O2
IUPAC name	N-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide
Molecular weight	436.6
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	5.4
Synonyms	(R)-2-[(1H-Pyrrol-2-yl)carbonylamino]-3-(1H-indol-3-yl)-N,N-dipentylpropanamide (R)-1H-Pyrrole-2-carboxylic acid [1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-amide BDBM50008635
Inchi Key	BYRJLHZCBZABOV-XMMPIXPASA-N
Inchi ID	InChI=1S/C26H36N4O2/c1-3-5-9-16-30(17-10-6-4-2)26(32)24(29-25(31)23-14-11-15-27-23)18-20-19-28-22-13-8-7-12-21(20)22/h7-8,11-15,19,24,27-28H,3-6,9-10,16-18H2,1-2H3,(H,29,31)/t24-/m1/s1
PubChem CID	15104603
ChEMBL	CHEMBL112054
IUPHAR	N/A
BindingDB	50008635
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

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

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