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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	Cavia porcellus (Guinea pig)
Gene	CCKAR
Synonym	CCK-A receptor CCK-AR CCK1-R Cholecystokinin-1 receptor
Disease	N/A for non-human GPCRs
Length	430
Amino acid sequence	MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
UniProt	Q63931
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	CHEMBL3501
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL293490
Molecular formula	C33H39N5O6S
IUPAC name	3-[[(3R,5R)-1-[2-(tert-butylamino)-2-oxoethyl]-8-methyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]carbamoylamino]-N-ethylsulfonylbenzamide
Molecular weight	633.764
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.8
Synonyms	BDBM50285005 N-tert-Butyl-2-{(3R,5R)-3-[3-(3-ethanesulfonylaminocarbonyl-phenyl)-ureido]-8-methyl-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
Inchi Key	ARYXAMNDWNZMBO-KAYWLYCHSA-N
Inchi ID	InChI=1S/C33H39N5O6S/c1-6-45(43,44)37-30(40)23-13-10-14-24(18-23)34-32(42)35-27-19-26(22-11-8-7-9-12-22)25-16-15-21(2)17-28(25)38(31(27)41)20-29(39)36-33(3,4)5/h7-18,26-27H,6,19-20H2,1-5H3,(H,36,39)(H,37,40)(H2,34,35,42)/t26-,27-/m1/s1
PubChem CID	44301037
ChEMBL	CHEMBL293490
IUPHAR	N/A
BindingDB	50285005
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1100.0 nM	, Bioorg. Med. Chem. Lett., (1995) 5:17:1933	BindingDB,ChEMBL

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