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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	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	CHEMBL2112239
Molecular formula	C31H37N5O5
IUPAC name	tert-butyl N-[(2S)-1-[[(4aR,5S)-2-(4-methylphenyl)-1,3-dioxo-4,4a,5,6,7,8-hexahydropyrido[1,2-c]pyrimidin-5-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight	559.667
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.9
Synonyms	N/A
Inchi Key	CFELHZHMJBEVRS-KKUQBAQOSA-N
Inchi ID	InChI=1S/C31H37N5O5/c1-19-11-13-21(14-12-19)36-27(37)17-26-24(10-7-15-35(26)30(36)40)33-28(38)25(34-29(39)41-31(2,3)4)16-20-18-32-23-9-6-5-8-22(20)23/h5-6,8-9,11-14,18,24-26,32H,7,10,15-17H2,1-4H3,(H,33,38)(H,34,39)/t24-,25-,26+/m0/s1
PubChem CID	10962743
ChEMBL	CHEMBL2112239
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2320.0 nM	PMID11405658	ChEMBL

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