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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	Roxindole
Molecular formula	C23H26N2O
IUPAC name	3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Molecular weight	346.474
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.6
Synonyms	118372-EP2275420A1 43227SMS0O CHEBI:48558 GTPL52 UNII-43227SMS0O 119742-13-1 (mesylate) AC1L55YV D01GEB NCGC00025216-02 roxindolum 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol BDBM50002173 DSSTox_RID_80082 PDSP2_001376 Tox21_110955 108050-82-4 (mono HCL) 118372-EP2298764A1 L001062 Roxindole [INN] ZINC1548439 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol AC1Q7AGH DSSTox_CID_23895 NCGC00025216-03 SCHEMBL49673 112192-04-8 3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol CAS-112192-04-8 DTXSID5043895 roxindol Tox21_110955_1 118372-EP2298765A1 CHEMBL431367 NCGC00025216-01 roxindole[inn] 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridylbutyl)indol-5-ol AJ-26886 DSSTox_GSID_43895 PDSP1_001392 Tocris-1559 100239-55-2 (x HCl) [ Show all ]
Inchi Key	HGEYJZMMUGWEOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
PubChem CID	219050
ChEMBL	CHEMBL431367
IUPHAR	52
BindingDB	50002173
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	467.735 nM	PMID12388666	PDSP
Ki	467.74 nM	PMID12388666	BindingDB

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