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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	Tavapadon
Molecular formula	C19H16F3N3O3
IUPAC name	1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrimidine-2,4-dione
Molecular weight	391.35
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.3
Synonyms	PT4P8MJP8L Tavapadon [USAN] 1643489-24-0 CHEMBL3697617 (-)-1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-2,4(1H,3H)-pyrimidinedione SCHEMBL16334991 UNII-PT4P8MJP8L 2,4(1H,3H)-Pyrimidinedione, 1,5-dimethyl-6-(2-methyl-4-((3-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)-, (-)- PF-06649751 [ Show all ]
Inchi Key	AKQXQLUNFKDZBN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
PubChem CID	86764100
ChEMBL	CHEMBL3697617
IUPHAR	N/A
BindingDB	160918
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	8.54 nM	, None	BindingDB,ChEMBL
Ki	21.0 nM	, None	BindingDB,ChEMBL

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