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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	N6-2-(4-Aminophenyl)ethyladenosine
Molecular formula	C18H22N6O4
IUPAC name	2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	386.412
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	0.9
Synonyms	n-[2-(4-aminophenyl)ethyl]-9-pentofuranosyl-9h-purin-6-amine NCGC00093612-03 2-(6-{[2-(4-aminophenyl)ethyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol AC1Q4Y3F D0U6NZ NCGC00015017-03 SR-01000075222 CCG-204213 GTPL462 NCGC00093612-01 [125I]APNEA A-202 ChEMBL_198532 Lopac0_000118 NCGC00260803-01 2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol APNEA EU-0100118 NCGC00015017-04 SR-01000075222-1 HMS3260G18 NCGC00093612-02 [3H]N6-2-(4-Aminophenyl)ethyladenosine AC1L1I2P D0A8EK LP00118 NCGC00015017-02 SCHEMBL16585344 2-{6-[2-(4-Amino-phenyl)-ethylamino]-purin-9-yl}-5-hydroxymethyl-tetrahydro-furan-3,4-diol BDBM50037785 GTPL417 NCGC00015017-05 Tox21_500118 CHEMBL326958 L000691 [ Show all ]
Inchi Key	XTPOZVLRZZIEBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)
PubChem CID	4397
ChEMBL	CHEMBL326958
IUPHAR	417, 462
BindingDB	50037785
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	1032.2 nM	PubChem BioAssay data set	ChEMBL

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