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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(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	MLS000118160
Molecular formula	C20H18N4O3
IUPAC name	1-(3-amino-7-methoxypyrazolo[3,4-b]quinolin-1-yl)-2-(2-methoxyphenyl)ethanone
Molecular weight	362.389
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.2
Synonyms	ChemDiv2_006784 MLS002587577 AKOS001823279 HMS2252E23 SR-01000097404 1-(3-amino-7-methoxypyrazolo[3,4-b]quinolin-1-yl)-2-(2-methoxyphenyl)ethanone MCULE-1602443054 7-methoxy-1-[(2-methoxyphenyl)acetyl]-1H-pyrazolo[3,4-b]quinolin-3-amine cid_5307507 MolPort-007-647-651 1-(3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-2-(2-methoxyphenyl)ethanone BDBM48966 HMS3441P08 SR-01000097404-1 1-(3-azanyl-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-2-(2-methoxyphenyl)ethanone CHEMBL1538218 AC1NSCOX HMS1388E08 SMR000095108 1-(3-amino-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-2-(2-methoxyphenyl)ethanone CHEBI:108975 IDI1_005499 ZINC4939962 [ Show all ]
Inchi Key	AFARTCQWZVTVJO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N4O3/c1-26-14-8-7-12-9-15-19(21)23-24(20(15)22-16(12)11-14)18(25)10-13-5-3-4-6-17(13)27-2/h3-9,11H,10H2,1-2H3,(H2,21,23)
PubChem CID	5307507
ChEMBL	CHEMBL1538218
IUPHAR	N/A
BindingDB	48966
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	0.00201 nM	N/A	BindingDB

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