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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	SMR000073240
Molecular formula	C13H13N3O2S
IUPAC name	5-(oxolan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile
Molecular weight	275.326
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	CHEBI:116357 5-[(tetrahydrofuran-2-ylmethyl)amino]-2-(thiophen-2-yl)-1,3-oxazole-4-carbonitrile AC1MGUYQ cid_2941904 STK896189 AKOS016054522 MLS000062477 5-(tetrahydrofurfurylamino)-2-(2-thienyl)oxazole-4-carbonitrile 5-[(tetrahydrofuran-2-ylmethyl)amino]-2-thien-2-yl-1,3-oxazole-4-carbonitrile SR-01000264807 AF-399/41535426 HMS2490O04 5-(2-oxolanylmethylamino)-2-thiophen-2-yl-4-oxazolecarbonitrile BDBM49080 MolPort-000-181-544 5-[(tetrahydro-2-furanylmethyl)amino]-2-(2-thienyl)-1,3-oxazole-4-carbonitrile 613650-09-2 CHEMBL1414425 SR-01000264807-1 AKOS002686018 MCULE-7663084436 5-(oxolan-2-ylmethylamino)-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile [ Show all ]
Inchi Key	AIPQAXWNBFJZCQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H13N3O2S/c14-7-10-12(15-8-9-3-1-5-17-9)18-13(16-10)11-4-2-6-19-11/h2,4,6,9,15H,1,3,5,8H2
PubChem CID	2941904
ChEMBL	CHEMBL1414425
IUPHAR	N/A
BindingDB	49080
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	0.0145 nM	N/A	BindingDB

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