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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	Homo sapiens (Human)
Gene	CRHR1
Synonym	CRHR CRH-R1 CRH-R-1 CRFR1 CRFR-1 CRF1 receptor Corticotropin-releasing hormone receptor 1 CRF 1 receptor CRF-R CRF-R-1 CRF-R1 CRF-R1alpha CRF-RA [ Show all ]
Disease	Major depressive disorder; Severe mood disorder Depression; Anxiety Depression Irritable bowel syndrome Anxiety disorder; Depression Anxiety disorder Alcohol use disorders; Major depressive disorder Staphylococcus aureus infection [ Show all ]
Length	444
Amino acid sequence	MGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProt	P34998
Protein Data Bank	4z9g, 4k5y
GPCR-HGmod model	P34998
3D structure model	This structure is from PDB ID 4z9g.
BioLiP	BL0350036,BL0350037,BL0350038, BL0251208
Therapeutic Target Database	T45262
ChEMBL	CHEMBL1800
IUPHAR	212
DrugBank	BE0008658

Ligand

Name	CHEMBL400861
Molecular formula	C19H29N5O2
IUPAC name	2-N-(1,3-dimethoxypropan-2-yl)-3,6-diethyl-5-N-(4-methylpyridin-2-yl)pyrazine-2,5-diamine
Molecular weight	359.474
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.0
Synonyms	BDBM50222990 N2-(1,3-dimethoxypropan-2-yl)-3,6-diethyl-N5-(4-methylpyridin-2-yl)pyrazine-2,5-diamine
Inchi Key	APLSMHUKAJIEEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H29N5O2/c1-6-15-18(21-14(11-25-4)12-26-5)22-16(7-2)19(23-15)24-17-10-13(3)8-9-20-17/h8-10,14H,6-7,11-12H2,1-5H3,(H,21,22)(H,20,23,24)
PubChem CID	44443583
ChEMBL	CHEMBL400861
IUPHAR	N/A
BindingDB	50222990
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID17888659	BindingDB,ChEMBL

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