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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	MK-912
Molecular formula	C20H25N3O2
IUPAC name	1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one
Molecular weight	339.439
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.3
Synonyms	CAS_123679 L-657,743-002W NCGC00015699-03 CHEMBL1256985 LS-186865 PDSP1_001652 1',3'-Dimethylspiro(1,3,4,5',6,6',7,12b-octahydro-2H-benzo(b)furo(2,3-a)quinolizine)-2,4'-pyrimidin-2'-one AC1L3X3J L 657743 CCG-204845 L023963 NCGC00162243-01 D0Y4LU LS-187521 PDSP2_001636 1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one BDBM81811 L-657,743 NCGC00015699-02 Lopac0_000760 NSC_123679 L 657,743 MK 912 Spiro(2H-benzofuro(2,3-a)quinolizine-2,4'(1'H)-pyrimidin)-2'(3'H)-one, 1,3,4,5',6,6',7,12b-octahydro-1',3'-dimethyl-, (2S-trans)- [ Show all ]
Inchi Key	JRDUBBHIPPPSLP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
PubChem CID	123679
ChEMBL	CHEMBL1256985
IUPHAR	N/A
BindingDB	81811
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	2592.8 nM	PubChem BioAssay data set	ChEMBL
Potency	3264.3 nM	PubChem BioAssay data set	ChEMBL
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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