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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	D(1B) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD5
Synonym	Gpcr1 DRD1L2 DRD1B dopamine receptor 5 Dopamine D5 receptor D5 receptor D1beta dopamine receptor D(5) dopamine receptor D(1B) dopamine receptor [ Show all ]
Disease	Solid tumours Schizophrenia
Length	477
Amino acid sequence	MLPPGSNGTAYPGQFALYQQLAQGNAVGGSAGAPPLGPSQVVTACLLTLLIIWTLLGNVLVCAAIVRSRHLRANMTNVFIVSLAVSDLFVALLVMPWKAVAEVAGYWPFGAFCDVWVAFDIMCSTASILNLCVISVDRYWAISRPFRYKRKMTQRMALVMVGLAWTLSILISFIPVQLNWHRDQAASWGGLDLPNNLANWTPWEEDFWEPDVNAENCDSSLNRTYAISSSLISFYIPVAIMIVTYTRIYRIAQVQIRRISSLERAAEHAQSCRSSAACAPDTSLRASIKKETKVLKTLSVIMGVFVCCWLPFFILNCMVPFCSGHPEGPPAGFPCVSETTFDVFVWFGWANSSLNPVIYAFNADFQKVFAQLLGCSHFCSRTPVETVNISNELISYNQDIVFHKEIAAAYIHMMPNAVTPGNREVDNDEEEGPFDRMFQIYQTSPDGDPVAESVWELDCEGEISLDKITPFTPNGFH
UniProt	P21918
Protein Data Bank	N/A
GPCR-HGmod model	P21918
3D structure model	This predicted structure model is from GPCR-EXP P21918.
BioLiP	N/A
Therapeutic Target Database	T46828
ChEMBL	CHEMBL1850
IUPHAR	218
DrugBank	BE0000145, BE0004889

Ligand

Name	CHEMBL398813
Molecular formula	C23H25F3N4O
IUPAC name	3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]quinazolin-4-one
Molecular weight	430.475
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.1
Synonyms	BDBM50216053 3-(4-(4-(3-a,a,a-trifluorotolyl)-1-piperazinyl)butyl)-quinazolin-4(3H)-one
Inchi Key	AJQHTFDOWXUHQW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25F3N4O/c24-23(25,26)18-6-5-7-19(16-18)29-14-12-28(13-15-29)10-3-4-11-30-17-27-21-9-2-1-8-20(21)22(30)31/h1-2,5-9,16-17H,3-4,10-15H2
PubChem CID	44436305
ChEMBL	CHEMBL398813
IUPHAR	N/A
BindingDB	50216053
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	9.0 %	PMID17576067	ChEMBL
Activity	76.0 %	PMID17576067	ChEMBL
Ki	1703.0 nM	PMID17576067	BindingDB,ChEMBL

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