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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	UNII-XBY7Y3DR1J
Molecular formula	C22H30N4O3
IUPAC name	3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
Molecular weight	398.507
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.9
Synonyms	Pyrazolo(1,5-a)pyrimidin-7-amine, 3-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,5-dimethyl-N-propyl- AKOS032947014 XBY7Y3DR1J CHEMBL121896 195054-99-0 SCHEMBL5872522 BDBM50148889 [3-(2,4-Dimethoxy-phenyl)-2,5-dimethyl-3H-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-methoxy-ethyl)-propyl-amine NBI-30545 [3-(2,4-Dimethoxy-phenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-methoxy-ethyl)-propyl-amine [ Show all ]
Inchi Key	AKFWXFDMKRSYRD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N4O3/c1-7-10-25(11-12-27-4)20-13-15(2)23-22-21(16(3)24-26(20)22)18-9-8-17(28-5)14-19(18)29-6/h8-9,13-14H,7,10-12H2,1-6H3
PubChem CID	9865624
ChEMBL	CHEMBL121896
IUPHAR	N/A
BindingDB	50148889
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	76.0 nM	PMID15341493	BindingDB,ChEMBL
Ki	3.4 nM	PMID15341493, PMID15203140	BindingDB,ChEMBL

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