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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	Homo sapiens (Human)
Gene	CCKAR
Synonym	cholecystokinin-1 receptor CCK1-R CCK1 receptor CCK-AR CCK-A receptor cholecystokinin receptor type A [ Show all ]
Disease	Pancreatic cancer; Obesity Eating disorder Pancreatic disease Gallstone prophylaxis; Obesity Gastrointestinal disease Obesity Obesity; Eating disorders Bladder disease Dyspepsia [ Show all ]
Length	428
Amino acid sequence	MDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ
UniProt	P32238
Protein Data Bank	1d6g
GPCR-HGmod model	P32238
3D structure model	This structure is from PDB ID 1d6g.
BioLiP	BL0007611
Therapeutic Target Database	T28330
ChEMBL	CHEMBL1901
IUPHAR	76
DrugBank	BE0000402

Ligand

Name	CHEMBL214836
Molecular formula	C18H16Br2N4O3S2
IUPAC name	N-[4,5-dibromo-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
Molecular weight	560.279
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50196215 SCHEMBL13792884 1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-4,5-dibromobenzoyl]-piperidine
Inchi Key	DHIFLLPNXOMNGD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16Br2N4O3S2/c19-12-9-11(18(25)24-7-2-1-3-8-24)15(10-13(12)20)23-29(26,27)16-6-4-5-14-17(16)22-28-21-14/h4-6,9-10,23H,1-3,7-8H2
PubChem CID	11786290
ChEMBL	CHEMBL214836
IUPHAR	N/A
BindingDB	50196215
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID17034143	BindingDB,ChEMBL
Ki	>10000.0 nM	PMID17034143	ChEMBL

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