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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Gastrin/cholecystokinin type B receptor
Species	Mus musculus (Mouse)
Gene	Cckbr
Synonym	CHOLREC Cholecystokinin-2 receptor CCK2-R CCK2 receptor CCK-BR CCK-B/gastrin receptor CCK-B receptor gastrin/cholecystokinin type B receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	453
Amino acid sequence	MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P56481
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2854
IUPHAR	77
DrugBank	N/A

Ligand

Name	CHEMBL278217
Molecular formula	C42H47N7O5
IUPAC name	2-[[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]amino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular weight	729.882
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	5.2
Synonyms	BDBM50287244 2-[2-Oxo-5-phenyl-3-(3-m-tolyl-ureido)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-N-{[3-(3-piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-methyl}-acetamide
Inchi Key	DNEJEXULMUZLAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C42H47N7O5/c1-30-13-10-17-33(25-30)45-42(53)47-40-41(52)49(36-20-7-6-19-35(36)39(46-40)32-15-4-2-5-16-32)29-38(51)44-27-37(50)43-21-12-24-54-34-18-11-14-31(26-34)28-48-22-8-3-9-23-48/h2,4-7,10-11,13-20,25-26,40H,3,8-9,12,21-24,27-29H2,1H3,(H,43,50)(H,44,51)(H2,45,47,53)
PubChem CID	44280266
ChEMBL	CHEMBL278217
IUPHAR	N/A
BindingDB	50287244
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	3600.0 nM	Bioorg. Med. Chem. Lett., (1996) 6:13:1421,	BindingDB,ChEMBL

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