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GLASS

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GPCR

Name	D(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

Ligand

Name	CHEMBL3697620
Molecular formula	C20H19F2N3O3
IUPAC name	6-[4-[3-(difluoromethyl)pyridin-2-yl]oxy-2-methylphenyl]-1-ethyl-5-methylpyrimidine-2,4-dione
Molecular weight	387.387
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	SCHEMBL16338494
Inchi Key	AQJVLUHOWZSSPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19F2N3O3/c1-4-25-16(12(3)18(26)24-20(25)27)14-8-7-13(10-11(14)2)28-19-15(17(21)22)6-5-9-23-19/h5-10,17H,4H2,1-3H3,(H,24,26,27)
PubChem CID	117774669
ChEMBL	CHEMBL3697620
IUPHAR	N/A
BindingDB	160923
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	55.1 nM	, None	BindingDB,ChEMBL

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