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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	CHEMBL3800341
Molecular formula	C28H32N2O5
IUPAC name	5-hydroxy-8-[2-[2-[3-methoxy-4-(3-phenylpropoxy)phenyl]ethylamino]ethyl]-4H-1,4-benzoxazin-3-one
Molecular weight	476.573
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.6
Synonyms	BDBM50167063
Inchi Key	XFQRGEPJIICUBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H32N2O5/c1-33-25-18-21(9-12-24(25)34-17-5-8-20-6-3-2-4-7-20)13-15-29-16-14-22-10-11-23(31)27-28(22)35-19-26(32)30-27/h2-4,6-7,9-12,18,29,31H,5,8,13-17,19H2,1H3,(H,30,32)
PubChem CID	127047859
ChEMBL	CHEMBL3800341
IUPHAR	N/A
BindingDB	50167063
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	960.0 nM	PMID27132867	BindingDB,ChEMBL

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