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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	CHEMBL29888
Molecular formula	C33H35N9O4S2
IUPAC name	N-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[3-[1-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-3H-1,4-benzodiazepin-5-yl]phenoxy]acetamide
Molecular weight	685.822
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	3.1
Synonyms	N-[2-(2-Guanidino-thiazol-4-ylmethylsulfanyl)-ethyl]-2-{3-[1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenoxy}-acetamide BDBM50287237
Inchi Key	PUMVZQPDPMFSFN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H35N9O4S2/c1-20-7-5-9-22(15-20)37-32(45)40-29-30(44)42(2)26-12-4-3-11-25(26)28(39-29)21-8-6-10-24(16-21)46-17-27(43)36-13-14-47-18-23-19-48-33(38-23)41-31(34)35/h3-12,15-16,19,29H,13-14,17-18H2,1-2H3,(H,36,43)(H2,37,40,45)(H4,34,35,38,41)
PubChem CID	44280213
ChEMBL	CHEMBL29888
IUPHAR	N/A
BindingDB	50287237
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	350.0 nM	Bioorg. Med. Chem. Lett., (1996) 6:13:1421,	BindingDB,ChEMBL

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