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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	UNII-874OEY3JEJ
Molecular formula	C22H26Cl2N4
IUPAC name	3-(2,4-dichlorophenyl)-9-heptan-4-yl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
Molecular weight	417.378
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.3
Synonyms	NBI-34041 BDBM50171325 SCHEMBL16606732 2-(2,4-Dichloro-phenyl)-4-methyl-6-(1-propyl-butyl)-7,8-dihydro-6H-1,3,6,8a-tetraaza-acenaphthylene KB-79290 6H-1,3,6,8a-Tetraazaacenaphthylene, 2-(2,4-dichlorophenyl)-7,8-dihydro-4-methyl-6-(1-propylbutyl)- SB-723620 268545-87-5 NBI 34041 874OEY3JEJ SB723620 1-(2,4-Dichlorophenyl)-5-(heptan-4-yl)-7-methyl-4,5-dihydro-3H-2,2a,5,8-tetraazaacenaphthylene CHEMBL188907 ZINC28465228 [ Show all ]
Inchi Key	AKLMUGFDGONMAA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-10-11-28-22-19(27)12-14(3)25-21(22)20(26-28)17-9-8-15(23)13-18(17)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3
PubChem CID	9888194
ChEMBL	CHEMBL188907
IUPHAR	N/A
BindingDB	50171325
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4.0 nM	PMID21618986	BindingDB,ChEMBL
Ki	4.5 nM	PMID16078829	BindingDB,ChEMBL
Ki	5.012 nM	PMID16134945	ChEMBL

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