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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	2-Mesatp
Molecular formula	C11H18N5O13P3S
IUPAC name	[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight	553.268
Hydrogen bond acceptor	18
Hydrogen bond donor	7
XlogP	-4.9
Synonyms	Y37441OBL1 43170-89-4 CHEMBL336208 [[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate) 2-Methylthio ATP tetrasodium AC1NSJRQ DTXSID6037146 2-(methylthio)adenosine 5'-(tetrahydrogen triphosphate) 2-methylthioadenosine 5'-triphosphate BDBM50118232 SCHEMBL375601 ZINC3995334 2-Methyl-thio-ATP CTK7B5306 2-(methylthio) adenosine 5'-triphosphate 2-methylthio-adenosine-5'-triphosphate AKOS027379934 GTPL1711 2-(METHYLTHIO)ADENOSINE-5'-TRIPHOSPHATE 2MeSATP UNII-Y37441OBL1 [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate 2-Methylthio ATP 6AT D0U1OJ 2-(Methylthio)-Adenosinetriphosphate 2-Methylthio-ATP ATP, 2-meS NCGC00163310-01 [ Show all ]
Inchi Key	XNOBOKJVOTYSJV-KQYNXXCUSA-N
Inchi ID	InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID	5310983
ChEMBL	CHEMBL336208
IUPHAR	1711
BindingDB	50118232
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Potency	461.1 nM	PubChem BioAssay data set	ChEMBL
Potency	1584.9 nM	PubChem BioAssay data set	ChEMBL

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