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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.
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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	CHEMBL343436
Molecular formula	C30H34N4O6
IUPAC name	(3S)-3-[[(2S,5S,11bR)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-4-phenylbutanoic acid
Molecular weight	546.624
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.2
Synonyms	BDBM50073718 (S)-3-[((2S,5S,11bR)-2-tert-Butoxycarbonylamino-3-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-5-carbonyl)-amino]-4-phenyl-butyric acid
Inchi Key	FORFDJKYIXRELO-ABQRKTDGSA-N
Inchi ID	InChI=1S/C30H34N4O6/c1-30(2,3)40-29(39)33-22-16-23-26-20(19-11-7-8-12-21(19)32-26)15-24(34(23)28(22)38)27(37)31-18(14-25(35)36)13-17-9-5-4-6-10-17/h4-12,18,22-24,32H,13-16H2,1-3H3,(H,31,37)(H,33,39)(H,35,36)/t18-,22-,23+,24-/m0/s1
PubChem CID	44362700
ChEMBL	CHEMBL343436
IUPHAR	N/A
BindingDB	50073718
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID9990454	BindingDB,ChEMBL

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