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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	CHEMBL563819
Molecular formula	C15H13Cl3N4O2
IUPAC name	3,5-dichloro-4-[[6-chloro-4-[(2R)-1-methoxypropan-2-yl]-3-oxopyrazin-2-yl]amino]benzonitrile
Molecular weight	387.645
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM50293921 (R)-3,5-Dichloro-4-[6-chloro-4-(2-methoxy-1-methylethyl)-3-oxo-3,4-dihydropyrazin-2-ylamino]benzonitrile
Inchi Key	BJPKLUWKFANWNW-MRVPVSSYSA-N
Inchi ID	InChI=1S/C15H13Cl3N4O2/c1-8(7-24-2)22-6-12(18)20-14(15(22)23)21-13-10(16)3-9(5-19)4-11(13)17/h3-4,6,8H,7H2,1-2H3,(H,20,21)/t8-/m1/s1
PubChem CID	44190824
ChEMBL	CHEMBL563819
IUPHAR	N/A
BindingDB	50293921
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	18.0 nM	PMID19552436	BindingDB,ChEMBL

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