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GLASS

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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	CHEMBL249212
Molecular formula	C25H28Cl2FN5O
IUPAC name	2-N-(3,5-dichloropyridin-2-yl)-3,6-diethyl-5-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-2-N-methylpyrazine-2,5-diamine
Molecular weight	504.431
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50223025 N2-(3,5-dichloropyridin-2-yl)-3,6-diethyl-N5-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)-N2-methylpyrazine-2,5-diamine
Inchi Key	AXRGGNRDBYIQOI-FCHUYYIVSA-N
Inchi ID	InChI=1S/C25H28Cl2FN5O/c1-4-19-23(32-22-17-9-7-6-8-15(17)12-21(22)34-11-10-28)30-20(5-2)25(31-19)33(3)24-18(27)13-16(26)14-29-24/h6-9,13-14,21-22H,4-5,10-12H2,1-3H3,(H,30,32)/t21-,22+/m0/s1
PubChem CID	44443661
ChEMBL	CHEMBL249212
IUPHAR	N/A
BindingDB	50223025
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1208.0 nM	PMID17888659	BindingDB,ChEMBL

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