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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	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	PHA-543613
Molecular formula	C15H17N3O2
IUPAC name	N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide
Molecular weight	271.32
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.5
Synonyms	IPKZCLGGYKRDES-ZDUSSCGKSA-N NCGC00254368-01 SCHEMBL2596554 DSSTox_GSID_47284 N-(1-Azabicyclo[2.2.2]oct-3(R)-yl)furo[2,3-c]pyridine-5-carboxamide PHA-543,613 ZINC34034921 (R)-N-(Quinuclidin-3-yl)furo(2,3-C)pyridine-5-carboxamide Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide PHA543613 BDBM50190786 CHEMBL214268 J3.179.420J PHA 543613E Tox21_300448 DSSTox_RID_82238 N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide (R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carboxamide GTPL3998 NCGC00248050-01 R36R9KVD6Y CAS-478149-53-0 DSSTox_CID_27284 N-((3R)-1-Azabicyclo(2.2.2)oct-3-yl)furo(2,3-C)pyridine-5-carboxamide PHA-00543613 UNII-R36R9KVD6Y DTXSID6047284 N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide Dihydrochloride PHA-543613, >=98% (HPLC) AKOS005146334 [ Show all ]
Inchi Key	IPKZCLGGYKRDES-ZDUSSCGKSA-N
Inchi ID	InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
PubChem CID	9930121
ChEMBL	CHEMBL214268
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>10.0 %	PMID16821801	ChEMBL

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