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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	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	CHEMBL1808417
Molecular formula	C33H40FN5O4
IUPAC name	1-[1-(1-adamantylmethyl)-7-fluoro-5-(2-morpholin-4-ylethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea
Molecular weight	589.712
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.0
Synonyms	SCHEMBL8559712 BDBM50418879
Inchi Key	BLDKSPMUUHPOSY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H40FN5O4/c34-25-6-7-27-28(17-25)38(9-8-37-10-12-43-13-11-37)30(40)29(36-32(42)35-26-4-2-1-3-5-26)31(41)39(27)21-33-18-22-14-23(19-33)16-24(15-22)20-33/h1-7,17,22-24,29H,8-16,18-21H2,(H2,35,36,42)
PubChem CID	19700615
ChEMBL	CHEMBL1808417
IUPHAR	N/A
BindingDB	50418879
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2238.72 nM	PMID21689940	BindingDB,ChEMBL
Ki	2630.27 nM	PMID21689940	BindingDB,ChEMBL
Ki	3090.3 nM	PMID21689940	BindingDB,ChEMBL

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