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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	CHEMBL94917
Molecular formula	C29H35N5O7
IUPAC name	(3S)-4-amino-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight	565.627
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	2.0
Synonyms	BDBM50026295 3-{2-[2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-succinamic acid
Inchi Key	ATSCMFOPMJPIJV-HJOGWXRNSA-N
Inchi ID	InChI=1S/C29H35N5O7/c1-17(2)12-23(27(38)32-22(26(30)37)14-25(35)36)33-28(39)24(13-19-15-31-21-11-7-6-10-20(19)21)34-29(40)41-16-18-8-4-3-5-9-18/h3-11,15,17,22-24,31H,12-14,16H2,1-2H3,(H2,30,37)(H,32,38)(H,33,39)(H,34,40)(H,35,36)/t22-,23-,24-/m0/s1
PubChem CID	44326908
ChEMBL	CHEMBL94917
IUPHAR	N/A
BindingDB	50026295
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
ED50	38.0 umol.kg-1	PMID3973899	ChEMBL

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