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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	Rattus norvegicus (Rat)
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	452
Amino acid sequence	MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
UniProt	P30553
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	CHEMBL3508
IUPHAR	77
DrugBank	N/A

Ligand

Name	CHEMBL339115
Molecular formula	C22H31ClN2O4
IUPAC name	4-[(3-chlorobenzoyl)amino]-5-[(4,4-diethylcyclohexyl)amino]-5-oxopentanoic acid
Molecular weight	422.95
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	4.6
Synonyms	BDBM50008217 4-(3-Chloro-benzoylamino)-4-(4,4-diethyl-cyclohexylcarbamoyl)-butyric acid
Inchi Key	AFCWKTHKVQUQFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31ClN2O4/c1-3-22(4-2)12-10-17(11-13-22)24-21(29)18(8-9-19(26)27)25-20(28)15-6-5-7-16(23)14-15/h5-7,14,17-18H,3-4,8-13H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)
PubChem CID	44349391
ChEMBL	CHEMBL339115
IUPHAR	N/A
BindingDB	50008217
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3300.0 nM	PMID1732532	BindingDB,ChEMBL

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