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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	1072959-67-1
Molecular formula	C22H24N4O4
IUPAC name	N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight	408.458
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.5
Synonyms	959D671 CS-1726 J-522791 NCGC00345833-06 AS-16237 FT-0726466 MolPort-039-062-142 SR 3677 HMS3244D09 N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide SR3677 ABP000281 DTXSID50648693 JMC516642 Compound 5 RS0088 BCP01976 HMS3244C09 N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide SR 3677/ 3897AH CHEMBL521179 HY-13300 NCGC00345833-01 SYN1083 AKOS027422764 EX-A1752 KB-80724 SCHEMBL453528 BDBM25474 HMS3244C10 N-[2-[2-(DIMETHYLAMINO)ETHOXY]-4-(1H-PYRAZOL-4-YL)PHENYL]-2,3-DIHYDRO-1,4-BENZODIOXIN-2-CARBOXAMIDE SR-3677 [ Show all ]
Inchi Key	OQWZIAVXCYIZNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
PubChem CID	25093235
ChEMBL	CHEMBL521179
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	17.0 %	PMID18834107	ChEMBL

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