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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Corticotropin-releasing factor receptor 1
Species	Rattus norvegicus (Rat)
Gene	Crhr1
Synonym	CRH-R1 CRH-R-1 CRFR1 CRFR-1 CRF1 receptor CRF-RA CRF-R1alpha CRF-R1 CRF-R-1 CRF-R CRF 1 receptor Corticotropin-releasing hormone receptor 1 CRHR [ Show all ]
Disease	N/A for non-human GPCRs
Length	415
Amino acid sequence	MGRRPQLRLVKALLLLGLNPVSTSLQDQRCENLSLTSNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLHYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProt	P35353
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	CHEMBL4649
IUPHAR	212
DrugBank	N/A

Ligand

Name	CHEMBL564968
Molecular formula	C16H17Cl2N3O
IUPAC name	5-chloro-3-(4-chloroanilino)-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one
Molecular weight	338.232
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.0
Synonyms	(R)-5-Chloro-3-(4-chlorophenylamino)-1-(1-cyclopropylpropyl)-pyrazin-2(1H)-one BDBM50293970
Inchi Key	DHXPMGUJMRXGRS-CYBMUJFWSA-N
Inchi ID	InChI=1S/C16H17Cl2N3O/c1-2-13(10-3-4-10)21-9-14(18)20-15(16(21)22)19-12-7-5-11(17)6-8-12/h5-10,13H,2-4H2,1H3,(H,19,20)/t13-/m1/s1
PubChem CID	44190244
ChEMBL	CHEMBL564968
IUPHAR	N/A
BindingDB	50293970
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	180.0 nM	PMID19552437	BindingDB,ChEMBL

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