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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	CHEMBL406844
Molecular formula	C43H49N7O6
IUPAC name	[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]methyl N-[3-oxo-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]propyl]carbamate
Molecular weight	759.908
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	4.9
Synonyms	{2-[3-(3-Piperidin-1-ylmethyl-phenoxy)-propylcarbamoyl]-ethyl}-carbamic acid 3-[3-((R)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzyl ester BDBM50287265
Inchi Key	GBTCDSUSVMDXPF-FAIXQHPJSA-N
Inchi ID	InChI=1S/C43H49N7O6/c1-49-37-20-7-6-19-36(37)39(33-15-4-2-5-16-33)47-40(41(49)52)48-42(53)46-34-17-10-14-32(27-34)30-56-43(54)45-23-21-38(51)44-22-12-26-55-35-18-11-13-31(28-35)29-50-24-8-3-9-25-50/h2,4-7,10-11,13-20,27-28,40H,3,8-9,12,21-26,29-30H2,1H3,(H,44,51)(H,45,54)(H2,46,48,53)/t40-/m0/s1
PubChem CID	44280741
ChEMBL	CHEMBL406844
IUPHAR	N/A
BindingDB	50287265
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	160.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:13:1427	BindingDB,ChEMBL

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