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GLASS

You can:

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	CHEMBL284975
Molecular formula	C44H51N7O6
IUPAC name	2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethyl N-[3-oxo-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]propyl]carbamate
Molecular weight	773.935
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	5.4
Synonyms	{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-ethyl}-carbamic acid 2-{3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-phenyl}-ethyl ester BDBM50287267
Inchi Key	MYCAJPNVOBAEJS-RWYGWLOXSA-N
Inchi ID	InChI=1S/C44H51N7O6/c1-50-38-20-7-6-19-37(38)40(34-15-4-2-5-16-34)48-41(42(50)53)49-43(54)47-35-17-10-13-32(29-35)22-28-57-44(55)46-24-21-39(52)45-23-12-27-56-36-18-11-14-33(30-36)31-51-25-8-3-9-26-51/h2,4-7,10-11,13-20,29-30,41H,3,8-9,12,21-28,31H2,1H3,(H,45,52)(H,46,55)(H2,47,49,54)/t41-/m0/s1
PubChem CID	44281078
ChEMBL	CHEMBL284975
IUPHAR	N/A
BindingDB	50287267
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	94.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:13:1427	BindingDB,ChEMBL

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