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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	Cholecystokinin receptor type A
Species	Rattus norvegicus (Rat)
Gene	Cckar
Synonym	CCK-A receptor CCK-AR CCK1 receptor CCK1-R cholecystokinin receptor type A cholecystokinin-1 receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
UniProt	P30551
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	CHEMBL2871
IUPHAR	76
DrugBank	N/A

Ligand

Name	CHEMBL140749
Molecular formula	C22H22FN3OS
IUPAC name	N-[[5-(2-fluorophenyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
Molecular weight	395.496
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.7
Synonyms	BDBM50013195 SCHEMBL9500460 Thiophene-3-carboxylic acid [5-(2-fluoro-phenyl)-1-methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-amide
Inchi Key	ABRBWCSLFALRPE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
PubChem CID	19766220
ChEMBL	CHEMBL140749
IUPHAR	N/A
BindingDB	50013195
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	4800.0 nM	PMID2153212	BindingDB,ChEMBL

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